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Papaverine Hydrochloride

HCID 6084
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
61-25-6
표준 SMILES
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl
InChIKey
UOTMYNBWXDUBNX-UHFFFAOYSA-N
분자식
C20H21NO4.ClH
평균 분자량
375.8 g/mol
단동위원소 질량
375.1237359

개요

Papaverine hydrochloride is a white powder. pH (0.05 molar solution) 3.9. pH (2% aqueous solution) 3.3. (NTP, 1992)

이름 및 식별자

우선 이름
Papaverine Hydrochloride
IUPAC
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride
영어명
Papaverine hydrochloride
분자식
C20H22ClNO4
분자량
375.85

이름 및 동의어

PAPAVERINE HYDROCHLORIDE61-25-6CardoverinaArtegodanCardiospanDispamilDrapavelPapaversanMyobidPaveronVasalPapaverine Hcl
이름 더 보기
paphdipavBOC-azidelapavdynovasoptenylpameion
Ro-PapavVaso-PavTherapavPapaverinium chloride1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloridePapavarine chlorhydratePapaverine chlorohydratePAP H

데이터베이스 식별자

CAS
61-25-6
PubChem CID
6084
DTXSID
DTXSID9025825
ChEMBL
CHEMBL98123
UNII
23473EC6BQ
EC Number
200-502-1

물성

구조 계산 물성

극성 표면적
49.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
26
형식 전하
0
복잡도
407

실험 및 물리화학적 성질

SolubilitySoluble (>=10 mg/ml at 70 °F) (NTP, 1992)
Melting Point435 to 437 °F (decomposes) (NTP, 1992)
Physical DescriptionPapaverine hydrochloride is a white powder. pH (0.05 molar solution) 3.9. pH (2% aqueous solution) 3.3. (NTP, 1992)
Collision Cross Section185.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
226 °C · 226°C (dec.)
저장 조건
Amber Vial, Refrigerator
용해도
2 O: · H2O: 25 mg/mL
물리적 상태
가루
색상
하얀색
수소이온지수(pH)
pH (20g/l, 25℃) : 3.0~4.0
수용성
자유롭게 용해되는
Merck
14 · 14,7019
BRN
3921435 · 3921435
안정성
안정적이지만 빛에 민감할 수 있습니다.
InChI
InChI=1S/C20H21NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-8,10-12H,9H2,1-4H3;1H

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H301 (47%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P301+P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 132 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Other Safety InformationIMAP assessments - Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-, hydrochloride: Environment tier I assessment
DOT LabelPoison
Fire HazardsFlash point data for this compound are not available, but it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include sleepiness, slowed respiration and slowed heart beat. (NTP, 1992)
Reactive GroupEthers
Reactivity ProfileThis material is sensitive to light. (NTP, 1992).
Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesAcute Tox. 3 (47%)

안전 및 보호

Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992)

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 3건

Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.

Drugs used to cause dilation of the blood vessels.

Drugs used in the treatment of urological conditions and diseases such as URINARY INCONTINENCE and URINARY TRACT INFECTIONS.

용도 및 제조

General Manufacturing InformationIsoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-, hydrochloride (1:1): ACTIVE
응용 분야 · 4건

개요Papaverine Hydrochloride, USP, is the hydrochloride of an alkaloid obtained from opium or prepared synthetically. It belongs to the benzylisoquinoline group of alkaloids. It does not contain a phenanthrene group as do morphine and codeine.Papaverine Hydrochloride, USP, is 6,7-dimethoxy-1-veratrylisoquinoline hydrochloride and contains, on the dried basis, not less than 98.5% of CHNO.HCI. The molecular weight is 375.85. The structural formula is as shown.Papaverine Hydrochloride occurs as white crystals or white crystalline powder. One gram dissolves in about 30 mL of water and in 120 mL of alcohol. It is soluble in chloroform and practically insoluble in ether.Papaverine Hydrochloride Injection, USP, is a clear, colorless to pale-yellow solution.Papaverine Hydrochloride, for parenteral administration, is a smooth-muscle relaxant that is available in vials containing 30 mg/mL. Each vial also contains edetate disodium 0.005%. The 10 mL vials also contain chlorobutanol 0.5% as a preservative. pH may be adjusted with sodium citrate and/or citric acid.

역사Human beings have a long history of using opium poppy as food and narcotics, which can be dated back to the Neolithic age. The opium, which is the dried product of the opium poppy juice, is widely used as analgesics in the old and new civilizations of the old continent except the Chinese civilization. In 1848, German chemist Georg Merck successfully isolated a new alkaloid from the opium liquor for the first time and named it as “papaverine” . He also determined the correct molecular formula of papaverine as C20 H21NO4 and prepared the papaverine hydrochloride and nitrate by recrystallization method. Then, Goldschmiedt etal. put forward the molecular structure of papaverine by studying its oxidation products in 1883 and determined the isoquinoline ring as the core structure of papaverine in 1888 . Since the content of papaverine in plants is very low (less than 1%) and can hardly meet the clinical needs, so Pictet and Gams proposed a synthetic method of papaverine in 1909, which makes the large-scale industrialized production of papaverine possible . Study on the pharmacology of papaverine was first published in 1914 by Professor Pal of Vienna, who found that papaverine possessed smooth muscle relaxation effect without causing smooth muscle paralysis and can be used for the treatment of hypertension, angina, and acute uremia .

관련 반응

1건
반응 기록 만들기
HRID 1173 반응식
HRID 1173반응물로uspto-grants-1998_03

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
InChIKey
UOTMYNBWXDUBNX-UHFFFAOYSA-N
SMILES
C1(CC2=CC=C(OC)C(OC)=C2)=C2C(C=C(OC)C(OC)=C2)=CC=N1.[H]Cl
EPA
Papaverine hydrochloride (61-25-6)

화학적 성질

PAPAVERINE HYDROCHLORIDE is Crystalline Solid

First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Papaverine hydrochloride

vMost-DILI-concern

5

Warnings & precautions

DOI:10.1016/j.drudis.2016.02.015

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
NW8575000
ridadr
UN 1544 6.1/PG 3
독성
LD50 in mice, rats (mg/kg): 27.5, 20 i.v.; 150, 370 s.c. (Levis)
HS 번호
29391900
risk_code
22-34-11
hazard_code
Xn,C,F
safety_code
22-45-36/37/39-26-16
포장분류
III
위험 등급
6.1
F 고인화성물질
8
Hazard Classifications
Acute Tox. 3 Oral
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

용도Papaverine hydrochloride is as effective as sodium diclofenac for the short-term relief of acute renal colic pain and may be advantageous in patients with contraindications for nonsteroidal anti-inflammatory drugs. However, sodium diclofenac appears to provide a longer effective analgesia.Papaverine hydrochloride belongs to the group of benzylisoquinoline alkaloid. It is obtained from opium poppy.Papaverine hydrochloride has been used:in oxygenated Krebs solution for tissue mechanics analysisas a vasodilator in heparinized horse serum in tissue uptake techniqueas an inhibitor of H-MPP+ uptake into stably transfected 293 cells expressing either extraneuronal monoamine transporter (EMT) human or EMT rat

일반 설명Papaverine hydrochloride,6,7-dimethoxy-1-veratrylisoquinoline hydrochloride,was isolated by Merck in 1848 from opium,in which it occurs to the extent of about 1%. Althoughits natural origin is closely related to morphine, the pharmacologicalactions of papaverine hydrochloride areunlike those of morphine. Its main effect is as a spasmolyticon smooth muscle, acting as a direct, nonspecificrelaxant on vascular, cardiac, and other smooth muscle.Because of its broad antispasmodic action on ACh muscarinicreceptors, it is often called a nonspecific antagonist.Papaverine hydrochloride has been used in the treatmentof peripheral vascular disorders, but its use is limitedby lack of potency. Papaverine hydrochloride interferes with the mechanismof muscle contraction by inhibiting the cyclic nucleotidephosphodiesterases in smooth muscle cells responsible forconverting cAMP and cyclic guanosine monophosphate(cGMP) to 5' -AMP and 5' -GMP, respectively. The increasedlevels of cAMP and cGMP are associated with muscle relaxation through their phosphorylation of myosinlight-chain kinase.

상·하류 제품 정보

상류 원료

N-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide1-(3,4-디메톡시벤질)-3,4-디하이드로-6,7-디메톡시이소퀴놀리늄클로라이드1-[(3,4-디메톡시페닐)메틸]-3,4-디히드로-6,7-디메톡시이소퀴놀린(3,4-디메톡시페닐)아세트산PAPAVERINE호모버라트릴아민