Basic information
- CAS
62-99-7- Standard SMILES
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O- InChIKey
XSEGWEUVSZRCBC-ZVBLRVHNSA-N- Molecular formula
- C19H28O3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.20384475
Overview
6beta-hydroxytestosterone is a 17beta-hydroxy steroid that is testosterone bearing an additional hydroxy substituent at the 6beta-position. It has a role as an androgen, a human metabolite and a Daphnia magna metabolite. It is a 17beta-hydroxy steroid, a 6beta-hydroxy steroid, a 3-oxo-Delta(4) steroid and an androstanoid. It is functionally related to a testosterone.
Names & identifiers
- Preferred name
- 6beta-Hydroxytestosterone
- IUPAC
- (6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 6beta-Hydroxytestosterone
- Molecular formula
- C19H28O3
- Molecular weight
- 304.42
Names & synonyms
6beta-Hydroxytestosterone62-99-76beta,17beta-Dihydroxyandrost-4-en-3-one2GJX0P354ZDTXSID201018939CHEBI:34477NSC-9721(6beta,17beta)-6,17-dihydroxyandrost-4-en-3-oneAndrost-4-en-3-one, 6,17-dihydroxy-, (6beta,17beta)-6 beta-hydroxytestosteroneRefChem:544402androst-4-en-3-one, 6,17-dihydroxy-, (6 beta,17 beta)-
Show more names
6β-hydroxy TestosteroneNsc 97216BETA-HYDROXYTESTOSERONETestosterone Impurity 116β,17β-androst-4-en-3-one6β-Hydroxytestosterone D7D6-6β-Hydroxytestosterone2H6]-6β-Hydroxytestosterone4-Androsten-6b,17b-diol-3-one
DTXCID3014769526|A-Hydroxy Testosterone6-beta-hydroxytestosterone6b-Hydroxy Testosterone(6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one(6R,8R,9S,10R,13S,14S,17S)-6,17-Dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one6?-Hydroxy Testosterone6b-Hydroxy Testosterone (100 ug/mL in Methanol)
Properties
Computed structural properties
- XLogP
- 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]
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point172 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 205 °C · ≥205 °C
- Boiling point
- 479.8 · 479.8±45.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- Flash point
- 9 ℃ · 9℃
- storage temp.
- 2 · 2-8°C
- solubility
- 1 mg/ml; · Acetonitrile: 1 mg/ml; Ethanol: 1 mg/ml; Methanol: 1 mg/ml
- form
- A crystalline solid
- pka
- 13.98 · 13.98±0.70(Predicted)
- color
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)
Aggregated GHS information provided per 41 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 CategoriesCarc. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- hs_code
- 29372290
- risk_code
- 61-40-39/23/24/25-23/24/25-11
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- Xn,T,F
- safety_code
- 53-22-36/37/39-45-36/37-16-7
- Storage Class
- 3 - Flammable liquids
- target organs
- Eyes
- Hazard statements
- H351-H360
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
- Precautionary statements
- P201-P202-P280-P308+P313-P405-P501
Chemistry & industry
Pharmacology
Metabolism/Metabolites6alpha-Hydroxytestosterone is a known human metabolite of testosterone.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Applications
DescriptionCYP3A4 and CYP3A5 are cytochrome P450 enzymes whose expression is induced by glucocorticoids and certain xenobiotics, including many drugs and chemical carcinogens. They mediate the metabolism of xenobiotics as well as certain endobiotics, including steroid hormones. CYP3A4 and CYP3A5 are cytochrome P450 enzymes whose expression is induced by glucocorticoids and certain xenobiotics, including many drugs and chemical carcinogens. They mediate the metabolism of xenobiotics as well as certain endobiotics, including steroid hormones. 6β-hydroxy Testosterone is a major metabolite produced from testosterone by the actions of CYP3A4 and CYP3A5, accounting for 75-80% of all metabolites formed from testosterone. The biological effects of 6β-hydroxy testosterone have been poorly studied.
UsesA metabolite of Testosterone (T155000). CONTROLLED SUBSTANCE
UsesA metabolite of Testosterone. CONTROLLED SUBSTANC
General DescriptionA Certified Spiking Solution suitable for use as starting material in calibrators or controls for a variety of LC/MS or GC/MS applications from clinical and diagnostic testing to endocrinology and sports testing. 6-Hydroxytestosterone is a major urinary metabolite of testosterone, a hormone from the androgen group of steroids. Testosterone is an important sex hormone and anabolic steroid used as a performance-enhancing drug.
Suppliers44 total
汇智和源生物技术(苏州)有限公司010-59755330 13701268334 · [email protected]
Related reactions
0 records
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Compound notes
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