19-Hydroxytestosterone
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Basic information
- CAS
2126-37-6- 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
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 57.5 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses19-Hydroxy Testosterone, is a metabolite of Testosterone (T155000).
Additional notes
DefinitionChEBI: A 3-oxo Delta4-steroid that is testosterone which is substituted by a hydroxy group at positions 19.
Related reactions
19 records
Compound notes
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