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Propantheline Bromide

HCID 9279
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
50-34-0
표준 SMILES
CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-]
InChIKey
XLBIBBZXLMYSFF-UHFFFAOYSA-M
분자식
C23H30NO3.Br
평균 분자량
448.4 g/mol
단동위원소 질량
447.14091

개요

Propantheline bromide appears as white crystals or white powder. Melting point 159-161 °C. Used therapeutically as an anticholinergic.

이름 및 식별자

우선 이름
Propantheline Bromide
IUPAC
methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide
영어명
Propantheline bromide
분자식
C23H30NO3.Br
분자량
448.39

이름 및 동의어

PROPANTHELINE BROMIDE50-34-0Pro-BanthineNeometantylErcotinaNeopepulsanPanthelinePervagalProdixamonPropantelErcoraxKetaman
이름 더 보기
sc-3171Corrigast
KivatinPantasPro-GastronBromure de propanthelinePropantelina bromuroPropanthelini bromidumDTXSID2023519NCI-C56257

데이터베이스 식별자

CAS
50-34-0
PubChem CID
9279
DTXSID
DTXSID2023519
ChEMBL
CHEMBL1240
ChEBI
CHEBI:8482
UNII
UX9Z118X9F
EC Number
200-030-6

물성

구조 계산 물성

극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
7
무거운 원자 수
28
형식 전하
0
복잡도
474

실험 및 물리화학적 성질

Solubility · 2건

greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)

>67.3 [ug/mL] (The mean of the results at pH 7.4)

Human Drugs · 2건

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Melting Point318 to 322 °F (NTP, 1992)
Physical DescriptionPropantheline bromide appears as white crystals or white powder. Melting point 159-161 °C. Used therapeutically as an anticholinergic.

물리화학적 성질

녹는점
159 · 159-161°C
밀도
1.2916 · 1.2916 (rough estimate)
굴절률
1.62 · 1.6200 (estimate)
저장 조건
2 · 2-8°C
용해도
2 O: · H2O: 용해성50mg/mL
물리적 상태
가루
색상
흰색에서 황백색까지
수용성
21 · 21 ºC에서 >=10g/100mL
안정성
안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI
1S/C23H30NO3.BrH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1
InChIKey
XLBIBBZXLMYSFF-UHFFFAOYSA-M
SMILES
[Br-].CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C
EPA
Propantheline bromide (50-34-0)

화학적 성질

white crystalline powder

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationPropantheline bromide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Propanaminium, N-methyl-N-(1-methylethyl)-N-[2-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl]-, bromide: Environment tier I assessment
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Health Hazards · 1건

SYMPTOMS: Symptoms of exposure to this compound include dilated pupils and blurred vision; increased intraocular tension and heart rate; hot, dry, red skin; dry mouth; disorientation; hallucinations; aggressive behavior; rapid pulse and respiration; convulsions; and coma. (NTP, 1992)

Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesAcute Tox. 4 (99.1%)

안전 및 보호

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

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)

Propantheline bromide

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
BP8249200
HS 번호
2932992000
risk_code
22
hazard_code
Xn
safety_code
36
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.

Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system.

용도 및 제조

General Manufacturing Information2-Propanaminium, N-methyl-N-(1-methylethyl)-N-[2-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl]-, bromide (1:1): INACTIVE

응용 분야

용도Propantheline is an antimuscarinic agent used in the treatment of hyperhidrosis (excessive sweating), enuresis (involuntary urination) as well as cramps or spasms of the stomach, intestine and bladder.

일반 설명White crystals or white powder. Melting point 159-161°C .Used therapeutically as an anticholinergic.

상·하류 제품 정보

상류 원료

산텐-9-카복실산디이소프로필아미노에탄올브롬화 메틸

공급사100 곳

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