히드록시디온

Hydroxydione

HCID 257630CAS 303-01-5
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기본 정보

표준 SMILES
C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12
InChIKey
USPYDUPOCUYHQL-VEVMSBRDSA-N
분자식
C21H32O3
평균 분자량
332.5 g/mol
단동위원소 질량
332.23514488

개요

5beta-dihydrodeoxycorticosterone is a 3-oxo-5beta-steroid formed from 11-deoxycorticosterone by reduction across the C4-C5 double bond. It has a role as a human xenobiotic metabolite. It is a primary alpha-hydroxy ketone, a 3-oxo-5beta-steroid, a 21-hydroxy steroid and a 20-oxo steroid. It is functionally related to an 11-deoxycorticosterone. It derives from a hydride of a 5beta-pregnane.

이름 및 식별자

우선 이름
Hydroxydione
IUPAC
(5R,8R,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
현지명
히드록시디온
영어명
hydroxydione
분자식
C21H32O3
분자량
332.48

이름 및 동의어

Hydroxydione303-01-55beta-dihydrodeoxycorticosteroneViadryl21-hydroxy-5beta-pregnane-3,20-dioneB7VFN88375NSC-8600021-Hydroxy-5 alpha-pregnane-3,20-dioneCHEBI:863845 alpha-dihydro-11-DeoxycorticosteronePregnane-3,20-dione, 21-hydroxy-, (5beta)-RefChem:147168
이름 더 보기
히드록시디온Pregnane-3,20-dione, 21-hydroxy-, (5β)-17β-(Hydroxyacetyl)-5β-androstane-3-one
(1S,2S,7R,10R,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo(8.7.0.02,?.011,1?)heptadecan-5-one21-Hydroxy-5beta-pregnan-3,20-dionHydroxydione;(5R,8R,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one21-Hydroxypregnane-3,20-dione #UNII-B7VFN88375NSC 860005b-Dihydrodeoxycorticosterone

데이터베이스 식별자

CAS
303-01-5
PubChem CID
257630
DTXSID
DTXSID401027269
ChEBI
CHEBI:86384
UNII
B7VFN88375
Nikkaji
J5.485B

물성

구조 계산 물성

XLogP
3.8
극성 표면적
54.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
24

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Endocrine DisruptorsPotential endocrine disrupting compound

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Endogenous compounds or drugs that affect neuronal excitability through modulation of specific ionotropic receptors (e.g., GABA-A RECEPTORS). Endogenous neurosteroids are steroid hormones de novo synthesized by neurons and glial cells from steroid metabolite precursors (e.g., PREGNENOLONE).

응용 분야

용도Hydroxydione is one of the chemicals studied for acute oral toxicity, repellency and hazard potential to species of wild and domestic birds.

상·하류 제품 정보

공급사2 곳

艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]

추가 설명

정의ChEBI: A 3-oxo steroid with 5beta-configuration formed from 11-deoxycorticosterone by reduction across the C4-C5 double bond.

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6건
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