19-하이드록시테스토스테론

19-Hydroxytestosterone

HCID 150968CAS 2126-37-6

기본 정보

표준 SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CC[C@@H]2O
InChIKey: YLTCTXBDDHSLCS-KOUJMVCDSA-N
분자식: C19H28O3
평균 분자량: 304.4 g/mol
단동위원소 질량: 304.20384476

개요

19-hydroxytestosterone is a 3-oxo 4-steroid that is testosterone which is substituted by a hydroxy group at positions 19. It has a role as a mouse metabolite. It is a 17beta-hydroxy steroid, a 19-hydroxy steroid and a 3-oxo-Delta(4) steroid. It is functionally related to a testosterone.

이름 및 식별자

우선 이름: 19-Hydroxytestosterone
IUPAC: (8R,9S,10S,13S,14S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
현지명: 19-하이드록시테스토스테론
영어명: 19-Hydroxytestosterone
분자식: C19H28O3
분자량: 304.42

이름 및 동의어

19-Hydroxytestosterone2126-37-617beta,19-Dihydroxyandrost-4-en-3-oneNSC-777994GS1H36R0U(8R,9S,10S,13S,14S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneCHEBI:798DTXSID80131436317 beta,19-dihydroxyandrost-4-en-3-oneAndrost-4-en-3-one, 17,19-dihydroxy-, (17beta)-(8R,9S,10S,13S,14S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-oneRefChem:79503

이름 더 보기

19-하이드록시테스토스테론4-ANDROSTEN-17β, 19-DIOL-3-ONE4-Androstene-17β,19-diol-3-one4-ANDROSTENE-17BETA,19-DIOL-3-ONE4-ANDROSTEN-17-BETA, 19-DIOL-3-ONE19-HYDROXYTESTOSTERONE DEA SCHEDULE IIIAndrost-4-en-3-one, 17,19-dihydroxy-, (17β)-19-hydroxytestosterone dea schedule iii itemTamsulosin Impurity 12-d3（Tamsulosin HCl Racemate-d3）

DTXCID901744165633-652-519-Hydroxy Testosteronew Hydroxy testosterone19-hydroxy-testosteroneC05294UNII-4GS1H36R0USCHEMBL1331839

데이터베이스 식별자

CAS: 2126-37-6
PubChem CID: 150968
DTXSID: DTXSID801314363
ChEBI: CHEBI:798
UNII: 4GS1H36R0U
EC Number: 633-652-5
Nikkaji: J426.714A

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 22
형식 전하: 0
복잡도: 525

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점: 197 °C · 197 °C
끓는 점: 486.1 · 486.1±45.0 °C(Predicted)
밀도: 1.19 · 1.19±0.1 g/cm3(Predicted)
산도 계수 (pKa): 14.93 · 14.93±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.