(+)-Estr-4-ene-3,17-dione
기본 정보
- CAS
734-32-7- 표준 SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CCC2=O- InChIKey
JRIZOGLBRPZBLQ-QXUSFIETSA-N- 분자식
- C18H24O2
- 평균 분자량
- 272.4 g/mol
- 단동위원소 질량
- 272.17763001
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 Ų
- 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
DEA NFLIS-Drug Category -> Steroids
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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
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.
응용 분야
용도Norethindrone intermediate
상·하류 제품 정보
상류 원료
하류 제품
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