기본 정보
- CAS
54-92-2- 표준 SMILES
CC(C)NNC(=O)c1ccncc1- InChIKey
NYMGNSNKLVNMIA-UHFFFAOYSA-N- 분자식
- C9H13N3O
- 평균 분자량
- 179.22 g/mol
- 단동위원소 질량
- 179.10586205
개요
Iproniazid is a member of pyridines and a carbohydrazide.
이름 및 식별자
- 우선 이름
- Iproniazid
- IUPAC
- N'-propan-2-ylpyridine-4-carbohydrazide
- 현지명
- 이프로니아지드
- 영어명
- iproniazid
- 분자식
- C9H13N3O
- 분자량
- 179.22
이름 및 동의어
iproniazid54-92-2IprazidIproniazideEuphozidRivivolN'-isopropylpyridine-4-carbohydrazide4-Pyridinecarboxylic acid, 2-(1-methylethyl)hydrazideIproniazidaIproniazidumRo 2-45721-Isonicotinoyl-2-isopropylhydrazine
이름 더 보기
이프로니아지드Iproniazid>Iproniazid - Bio-X ?n’-isopropylisonicotinohydrazideN'-propan-2-ylpyridine-4-carbohydrazide
Isonicotinic acid 2-isopropylhydrazideD892HFI3XADTXSID5023168RefChem:148662DTXCID503168200-218-8N'-IsopropylisonicotinohydrazideMarsilid
데이터베이스 식별자
- CAS
54-92-2- PubChem CID
- 3748
- DTXSID
DTXSID5023168- ChEMBL
CHEMBL92401- ChEBI
CHEBI:5958- UNII
- D892HFI3XA
- EC Number
- 200-218-8
- Nikkaji
- J4.158K
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 54 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 164
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP0.33
Human DrugsPharmaceuticals
Melting Point161-161.5
Collision Cross Section131.31 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 112.5 · 112.5-113.5°
- 끓는 점
- 311.75 °C · 311.75°C (rough estimate)
- 밀도
- 1.1305 · 1.1305 (rough estimate)
- 굴절률
- 1.51 · 1.5100 (estimate)
- 저장 조건
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 11.28 · 11.28±0.23(Predicted)
- 물리적 상태
- 고체
- 색상
- 페일베이지
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Iproniazid
vMost-DILI-concern
8
Withdrawn
DOI:10.1016/j.drudis.2016.02.015
안전 데이터
- 독성
- An isopropyl derivative of isoniazid that was found to have mood-elevating effects in tuberculosis patients. It was later found to be a monoamine oxidase (MAO) inhibitor and, although not currently approved for clinical use as an antidepressant due to its propensity to cause liver damage it led to the development of other MAO inhibitors currently in use. In addition to hepatotoxic effects, iproniazid is a hypotensive agent and can cause potentially hazardous reactions with other drugs and amine-rich foods.
- HS 번호
- 2933399990
화학 및 산업
약리 정보
ATC Code
N - Nervous system
QN - Nervous system
PharmacodynamicsIproniazid is a monoamine oxidase inhibitor (MAOI) that was developed as the first anti-depressant.
MeSH Pharmacological Classification
Mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. Several MONOAMINE OXIDASE INHIBITORS are useful as antidepressants apparently as a long-term consequence of their modulation of catecholamine levels. The tricyclic compounds useful as antidepressive agents (ANTIDEPRESSIVE AGENTS, TRICYCLIC) also appear to act through brain catecholamine systems. A third group (ANTIDEPRESSIVE AGENTS, SECOND-GENERATION) is a diverse group of drugs including some that act specifically on serotonergic systems.
A chemically heterogeneous group of drugs that have in common the ability to block oxidative deamination of naturally occurring monoamines. (From Gilman, et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p414)
용도 및 제조
Use ClassificationPharmaceuticals
응용 분야
용도Iproniazid is a hydrazine based drug used as an antidepressant. Iproniazid acts as an irreversible and nonselective monoamine oxidase inhibitor.
상·하류 제품 정보
상류 원료
공급사70 곳
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