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Pyrvinium Pamoate

HCID 54680693
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
3546-41-6
표준 SMILES
Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.O=C(O)c1cc2ccccc2c(Cc2c([O-])c(C(=O)O)cc3ccccc23)c1[O-]
InChIKey
OOPDAHSJBRZRPH-UHFFFAOYSA-L
분자식
C75H70N6O6
평균 분자량
1,151.4 g/mol
단동위원소 질량
1,150.53568397

개요

Pyrvinium pamoate appears as odorless bright orange or orange-red to brownish red or almost black fluffy powder. Melting point 210-215 °C. Insoluble in water. Tasteless.

이름 및 식별자

우선 이름
Pyrvinium Pamoate
IUPAC
3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate;bis(2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine)
영어명
PYRVINIUM PAMOATE
분자식
C75H70N6O6
분자량
1151.39

이름 및 동의어

Pyrvinium pamoate3546-41-6DTXSID4023545Pyrvinium (as embonate)DTXCID503545VanquilPoquilRefChem:58631222-596-3310X6S84LW6-(Dimethylamino)-2-(2-(2,5-dimethyl-1-phenylpyrrol-3-yl)vinyl)-1-methylquinolinium 4,4'-methylenebis(3-hydroxy-2-naphthoate) (2:1)Alnoxin
이름 더 보기
Pyrviniumtrupyrconpovanylmolevac
AltolatNSC-223622PamovinPovanPyrvinium 4,4'-methylenebis(3-hydroxynaphthalene-2-carboxylate)Pyrvinium embonateQuinolinium, 6-(dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl)-1-methyl-, salt with 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylic acid) (2:1)Quinolinium, 6-(dimethylamino)-2-(2-(2,5-dimethyl-1-phenylpyrrol-3-yl)vinyl)-1-methyl-, salt with 4,4'-methylenebis(3-hydroxy-2-naphthoic acid) (2:1)

데이터베이스 식별자

CAS
3546-41-6
PubChem CID
54680693
DTXSID
DTXSID4023545

물성

구조 계산 물성

극성 표면적
145 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
12
무거운 원자 수
87
형식 전하
0
복잡도
1,120

실험 및 물리화학적 성질

Solubilityless than 1 mg/mL at 75 °F (NTP, 1992)
Human Drugs · 2건

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Melting Point410 to 419 °F (NTP, 1992)
Physical DescriptionPyrvinium pamoate appears as odorless bright orange or orange-red to brownish red or almost black fluffy powder. Melting point 210-215 °C. Insoluble in water. Tasteless.

물리화학적 성질

녹는점
210 · 210-215° (softens at 190°)
끓는 점
829.27 °C · 829.27°C (rough estimate)
밀도
1.0104 · 1.0104 (rough estimate)
굴절률
1.64 · 1.6400 (estimate)
저장 조건
2 · 2-8°C
용해도
10 mg/mL · DMSO: >10mg/mL
물리적 상태
가루
색상
빨간색
InChIKey
OOPDAHSJBRZRPH-UHFFFAOYSA-L
EPA
Pyrvinium pamoate (3546-41-6)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Other Safety InformationIMAP assessments - Quinolinium, 6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-1-methyl-, salt with 4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylic acid] (2:1): Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards · 1건

SYMPTOMS: Exposure to this compound may cause bright red stools, nausea, vomiting, diarrhea, allergic reactions and photosensitivity. It may cause irritation of the mucous membranes and upper respiratory tract. It may also cause kidney and liver injury after prolonged use.

Reactive GroupPhenols and Cresols
Reactivity ProfilePYRVINIUM PAMOATE is light sensitive. Incompatible with strong oxidizing agents, strong acids and bases (NTP, 1992).
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationAgents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.

응용 분야

용도Pyrvinium Pamoate is a potent noncompetitive inhibitor of the androgen receptor, with the application towards prostate cancer treatment. Antihelmintic.

일반 설명Odorless bright orange or orange-red to brownish red or almost black fluffy powder. Melting point 210-215°C. Insoluble in water. Tasteless.

관련 반응

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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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ChEMBL
CHEMBL1908377
ChEBI
CHEBI:8688
EC Number
222-596-3

안전 및 보호

Fire FightingFires involving this material can 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 5% acetic acid, then transfer the dampened material to a suitable container. Use absorbent paper dampened with 5% acetic acid to pick up any remaining material. Your contaminated clothing and the absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with 5% acetic acid followed by washing with a 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 a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

안전 데이터

wgk
3
HS 번호
2933492250
risk_code
20/21/22-36/37/38-40
hazard_code
Xn
safety_code
26-36
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids