Basic information
- CAS
3066-12-4- Standard SMILES
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O- InChIKey
YQDZGFAYWGWSJK-RUOITVIXSA-N- Molecular formula
- C19H28O3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.20384476
Overview
11alpha,17beta-Dihydroxyandrost-4-en-3-one is a 3-hydroxy steroid. It has a role as an androgen.
Names & identifiers
- Preferred name
- 11alpha-Hydroxytestosterone
- IUPAC
- (8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- Molecular formula
- C19H28O3
- Molecular weight
- 304.42
Names & synonyms
11alpha-Hydroxytestosterone3066-12-411alpha,17beta-Dihydroxyandrost-4-en-3-oneLFI38P8752NSC-3453511alpha-hydroxy Testosterone11.alpha.-HydroxytestosteroneUNII-LFI38P875211-alpha,17-beta-Dihydroxyandrost-4-en-3-one11-Hydroxytestosterone, 11alpha-11alpha-Hydroxytestosterone, (+)-(8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Show more names
11α-hydroxy Testosterone4-ANDROSTEN-11α, 17β-DIOL-3-ONEAndrost-4-en-3-one, 11,17-dihydroxy-, (11α,17β)-11.alpha.-hydroxy Testosterone (DEA Schedule III)11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
delta4-Androsten-3-one-11alpha,17beta-diolAndrost-4-en-3-one, 11,17-dihydroxy-, (11alpha,17beta)-11|A-HydroxytestosteroneTestosterone Impurity N2Methylprednisolone Impurity 91orb2283698SCHEMBL3362406BDBM91721
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 539
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
Physicochemical properties
- Melting point
- 168 · 168-172 °C(Solvent: Acetone)
- Boiling point
- 476.171 · 476.171±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.194 · 1.194±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- 1 mg/ml · Ethanol: 1 mg/ml
- form
- A crystalline solid
- pka
- 14.562 · 14.562±0.70(predicted)
- FDA UNII
- 38 P8752 · LFI38P8752
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H351-H361-H335
- Precautionary statements
- 201 · P201-P202-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P308+P313-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
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
Danger
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesCarc. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H315-H319-H351-H361-H335
- Precautionary statements
- P201-P202-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P308+P313-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
Description11α-hydroxy Testosterone is a metabolite of testosterone, produced by the cytochrome P450 (CYP) isoform CYP3A. It can also be generated from testosterone by a mutant of CYP107A1 and from 11α-hydroxy progesterone by the fungus B. bassiana. The biological activity of this metabolite has not been elucidated.
Uses11α-Hydroxytestosterone is a deriviative of Hydrocortisone (HY-N0583), with the relative binding affinity to progesterone receptor of 9% (comparing to R5020 (HY-119384) 100%). 11α-Hydroxytestosterone inhibits the growth and differentiation of human decidual cells in culture[1].
Suppliers6 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: 11alpha,17beta-Dihydroxyandrost-4-en-3-one is a 3-hydroxy steroid. It has a role as an androgen.
Related reactions
1 records
Compound notes
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