(+)-Estr-4-ene-3,17-dione (HCID 92834)

개요

19-Norandrostenedione is a 3-oxo steroid.

이름 및 식별자

우선 이름: (+)-Estr-4-ene-3,17-dione
IUPAC: (8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
영어명: Norandrostenedione
분자식: C18H24O2
분자량: 272.38

이름 및 동의어

19-Norandrostenedione734-32-719-Norandrost-4-ene-3,17-dione19-nor-4-androstene-3,17-dioneNordionedelta4-Estrene-3,17-dionedelta,4-Estrene-3,17-dioneU90987PVU5(+)-Estr-4-ene-3,17-dioneNSC-12164DTXSID5086239219-nor-A-dione

이름 더 보기

BolandioneESTRENONE19-demethyl-4-androstenedioneNSC 121644-ESTREN-3,17-DIONE

RefChem:79523DTXCID601334157(1S,2R,10R,11S,15S)-15-methyltetracyclo(8.7.0.02,?.011,1?)heptadec-6-ene-5,14-dione211-995-8NorandrostenedioneEstr-4-ene-3,17-dione(+)-19-Norandrost-4-ene-3,17-dione19-Nor-4-androstenedione

데이터베이스 식별자

CAS: 734-32-7
PubChem CID: 92834
DTXSID: DTXSID50862392
ChEBI: CHEBI:34187
UNII: U90987PVU5
EC Number: 211-995-8
Nikkaji: J38.938B

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 20
형식 전하: 0
복잡도: 504

실험 및 물리화학적 성질

Drugs · 4건

DEA NFLIS-Drug Category -> Steroids

DEA Schedule III Controlled Substance -> Anabolic steroids

Pharmaceuticals -> Listed in ZINC15

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 169 · 169-172°C
끓는 점: 433.4 · 433.4±45.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
증기압: 0.001 Pa · 0.001Pa at 25℃
저장 조건: Refrigerator
용해도: 25 mg/ml; · DMF: 25 mg/ml; DMSO: 15 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 10 mg/ml
물리적 상태: 결정성 고체
수용성: 191 mg/L · 191mg/L at 20℃
InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1
InChIKey: JRIZOGLBRPZBLQ-QXUSFIETSA-N
SMILES: C1(=O)C=C2[C@]([H])(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2
LogP: 2.18 at · 2.18 at 25℃

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P203, P264, P270, P273, P280, P301+P317, P302+P352, P317, P318, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 15 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

DEA schedule III controlled substance

Status: Active Update: 09-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/18736

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29372900
risk_code: 11-34
hazard_code: F,C
safety_code: 16-26-36/37/39-45
기존화학 물질: KE-26259

화학 및 산업

약리 정보

Mechanism of Action · 1건

19-Norandrostenedione may be metabolized to 19-nortestosterone in both men and women. 19-Norandrostenedione, also known as nandrolone, is the basic substance of some very popular injectable anabolic steroids, however 19-norandrostenedione is not metabolized to testosterone. Whether or not increases in 19-nortestosterone levels would be sustained long enough by taking 19-norandrostenedione to show an increase in nitrogen retention and muscle strength and mass is unknown. 19-Norandrostenedione has also been shown to bind to androgen receptors with high selectivity. Transactivation of androgen receptor dependent reporter gene expression was 10 times lower than that produced by dihydrotestosterone. [1]

Metabolism/MetabolitesSpecific metabolites of 19-nor-5-androstene-3, 17-dione are 19-nordehydroandrosterone and 19-nordehydroepiandrosterone.

Absorption, Distribution and ExcretionAbsorption appears variable, but some absorption does occur.