19-Hydroxytestosterone

HCID 150968CAS 2126-37-6

Substructure search Find similar structures

Basic information

Standard 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
Molecular formula: C19H28O3
Average molar mass: 304.4 g/mol
Monoisotopic mass: 304.20384476

Overview

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.

Names & identifiers

Preferred name: 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
English name: 19-Hydroxytestosterone
Molecular formula: C19H28O3
Molecular weight: 304.42

Names & synonyms

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

Show more names

4-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

Database identifiers

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

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 525

Experimental & physicochemical properties

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

Physicochemical properties

Melting point: 197 °C · 197 °C
Boiling point: 486.1 · 486.1±45.0 °C(Predicted)
Density: 1.19 · 1.19±0.1 g/cm3(Predicted)
pka: 14.93 · 14.93±0.10(Predicted)
FDA UNII: 4 GS1H36R0U · 4GS1H36R0U
Symbol(GHS): 8 · GHS08,GHS07
Signal word: Warning
Hazard statements: 351 · H351-H361-H332-H312-H302
Precautionary statements: 201 · P201-P202-P281-P308+P313-P405-P501-P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-40-63
Safety Statements: 22 · 22-36
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 3
risk_code: 20/21/22-40-63
Signal word: Warning
Symbol(GHS): GHS08,GHS07
hazard_code: Xn
safety_code: 22-36
Hazard statements: H351-H361-H332-H312-H302
Precautionary statements: P201-P202-P281-P308+P313-P405-P501-P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501