10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione (HCID 2192)

개요

10,13-Dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione is a 3-hydroxy steroid. It has a role as an androgen.

이름 및 식별자

우선 이름: 10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
IUPAC: 10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
현지명: 안드로스타-1,4-디엔-3,17-디온
영어명: Androsta-1,4-diene-3,17-dione
분자식: C19H24O2
분자량: 284.39

이름 및 동의어

10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dioneMFCD00003614Androsta-1,17-dioneAndrostra-1,17-dioneAndrostane-1,17-dione.DELTA.1,17-dioneCHEMBL85121,4-Androsten-3,17-dioneBDBM9954SCHEMBL3758714CHEBI:182567NSC49080

이름 더 보기

안드로스타-1,4-디엔-3,17-디온Boldione1,4-ANDROSTADIENEDIONEANDROSTADIENEDIONE1,4-ANDROSTADIENE-3,17-DIONE10,13-DIMETHYL-7,8,9,10,11,12,13,14,15,16-DECAHYDRO-3H-CYCLOPENTA[A]PHENANTHRENE-3,17(6H)-DIONE(8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione(8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3H-cyclopenta[a]phenanthrene-3,17(6H)-dioneANBNSC 49080

CCG-52094AKOS015962216AC-16146DB-057155NS00008175SR-01000641347SR-01000641347-1SR-01000641347-2

데이터베이스 식별자

CAS: 897-06-3
PubChem CID: 2192
ChEMBL: CHEMBL8512
ChEBI: CHEBI:182567

물성

구조 계산 물성

XLogP: 3
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 21
형식 전하: 0
복잡도: 584

물리화학적 성질

녹는점: 138 · 138-139 °C(lit.)
끓는 점: 434.2 · 434.2±45.0 °C(Predicted)
밀도: 1.14 · 1.14±0.1 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 20℃
저장 조건: Refrigerator
용해도: 50 mg/ml; · DMF: 50 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 30 mg/ml; Ethanol: 5 mg/ml
물리적 상태: 결정성 고체
수용성: 430 mg/L · 430mg/L at 20℃
주요 응용: 제약
InChI: 1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKey: LUJVUUWNAPIQQI-QAGGRKNESA-N
SMILES: [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]4(C)C(=O)CC[C@@]24[H]
LogP: 2.2 at · 2.2 at 25℃

화학적 성질

White Crystalline Powder

안전 및 규제

안전 데이터

wgk: 3
rtecs: BV7988000
HS 번호: 29372900
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36
기존화학 물질: KE-01786
Hazard Classifications: Aquatic Chronic 2Carc. 2Lact.Repr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
DEA Controlled Substances: CSCN: 4000CAS SCH: ⅢNARC: N

화학 및 산업

응용 분야 · 2건

개요Androsta-1,4-diene-3,17-dione (Item No. 24081) is an analytical reference standard categorized as an anabolic androgenic steroid. Androsta-1,4-diene-3,17-dione is a precursor in the synthesis of boldenone and has been used to enhance athletic performance. Androsta-1,4-diene-3,17-dione is regulated as a Schedule III compound in the United States. This product is intended for research and forensic applications.

용도Boldenone related steroid; anabolic androgenic steroid