5alpha-Androst-2-en-17-one

HCID 101928CAS 963-75-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIKey: ISJVDMWNISUFRJ-HKQXQEGQSA-N
분자식: C19H28O
평균 분자량: 272.4 g/mol
단동위원소 질량: 272.21401552

개요

structure given in first source

이름 및 식별자

우선 이름: 5alpha-Androst-2-en-17-one
IUPAC: (5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

이름 및 동의어

963-75-75alpha-Androst-2-en-17-oneAndrost-2-en-17-oneAHC8P4E4ZL5-androst-2-en-17-oneDTXSID30914585RefChem:5580355 alpha-androst-2-en-17-oneDTXCID001474040213-517-35a-Androst-2-en-17-oneNSC 44506

이름 더 보기

NSC 80614(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-oneCHEMBL20582675-alpha-androst-2-en-17-one(3aS,3bR,5aS,9aS,9bS,11aS)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one(5a)-Androst-2-en-17-one, 90%Androst-2-en-17-one, (5.alpha.)-17-oxo-5a-androst-2-ene

데이터베이스 식별자

CAS: 963-75-7
PubChem CID: 101928
DTXSID: DTXSID30914585
ChEMBL: CHEMBL2058267
UNII: AHC8P4E4ZL
EC Number: 104-204-1、213-517-3
Nikkaji: J21.002A

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 20
형식 전하: 0
복잡도: 464

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.