Androsta-4,16-dien-3-one

HCID 92979CAS 4075-07-4

기본 정보

표준 SMILES: C[C@@]12C=CC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@]3(C)[C@H]1CC2
InChIKey: HNDHDMOSWUAEAW-VMXHOPILSA-N
분자식: C19H26O
평균 분자량: 270.4 g/mol
단동위원소 질량: 270.19836545

이름 및 식별자

우선 이름: Androsta-4,16-dien-3-one
IUPAC: (8S,9S,10R,13R,14S)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one

이름 및 동의어

AndrostadienoneAndrosta-4,16-dien-3-one4,16-Androstadien-3-one4075-07-4ZUZ4FHD36EDTXSID00863314delta4,16-Androstadien-3-oneNSC-93234RefChem:96130DTXCID601511385639-099-6.DELTA.4,16-Androstadien-3-one

이름 더 보기

(8S,9S,10R,13R,14S)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-oneNSC 93234UNII-ZUZ4FHD36E(+)-ANDROSTADIENONESCHEMBL219161Delta4-Androst-16-en-3-oneLMST02020142ST 19:3;O

데이터베이스 식별자

CAS: 4075-07-4
PubChem CID: 92979
DTXSID: DTXSID00863314
UNII: ZUZ4FHD36E
EC Number: 639-099-6
Nikkaji: J80.741I

물성

구조 계산 물성

XLogP: 4.5
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: 514

실험 및 물리화학적 성질

LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 86.4% (89 of 103) of all reports.

Danger

H351 (13.6%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P260, P263, P264, P270, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 103 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.