Basic information
- CAS
846-46-8- Standard SMILES
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
RAJWOBJTTGJROA-WZNAKSSCSA-N- Molecular formula
- C19H28O2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.20893014
Overview
5alpha-androstane-3,17-dione is the 5alpha-stereoisomer of androstane-3,17-dione. It has a role as a mouse metabolite. It is a 3-oxo-5alpha-steroid and an androstane-3,17-dione.
Names & identifiers
- Preferred name
- Dihydroandrostenedione
- IUPAC
- (5S,8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
- English name
- 5a-Androstanedione
- Molecular formula
- C19H28O2
- Molecular weight
- 288.42
Names & synonyms
Androstanedione5alpha-Androstane-3,17-dionedihydroandrostenedione5.alpha.-Androstane-3,17-dione5alpha-Androsta-3,17-dione5.alpha.-Androsta-3,17-dione2KR72RNR8ZNSC-9897NSC-60796DIHYDRO-ANDROSTENEDIONECHEBI:15994RefChem:587699
Show more names
Androstane-3,17-dioneNSC 9897NSC 60796ANDROSTANDIONE5α-Androstanedione5-Androstan-3,17-dione
846-46-85alpha-Androstan-3,17-dione5a-Androstanedione5-alpha-Androstane-3,17-dioneDihydroandrostendione5alpha-Androstanedione5.alpha.-Androstanedione5a-Androstane-3,17-dione
Database identifiers
- CAS
846-46-8- PubChem CID
- 222865
- DTXSID
DTXSID80233576- ChEMBL
CHEMBL1230438- ChEBI
CHEBI:15994- UNII
- 2KR72RNR8Z
- EC Number
- 212-685-5
- Nikkaji
- J38.549B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 496
Experimental & physicochemical properties
Drugs
DEA Schedule III Controlled Substance -> Anabolic steroids
Pharmaceuticals -> Listed in ZINC15
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
SpringerMaterials PropertiesChemical shift
LogP3.6
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point133.5 - 134.0 °C
Physical DescriptionSolid
Collision Cross Section
174.32 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
168.98 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 142 °C · 142°C
- Boiling point
- 390.65 °C · 390.65°C (rough estimate)
- Density
- 0.9882 · 0.9882 (rough estimate)
- refractive index
- 1.551 · 1.5510 (estimate)
- Flash point
- 93 °C · 93 °C
- solubility
- Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- 63.46 mg/L · 63.46mg/L(25 ºC)
- CAS DataBase Reference
- 846 · 846-46-8(CAS DataBase Reference)
- FDA UNII
- 2 KR72RNR8Z · 2KR72RNR8Z
- NIST Chemistry Reference
- -3 · Androstane-3,17-dione, (5«alpha»)-(846-46-8)
- WGK Germany
- 3 · 3
- HS Code
- 29144000 · 29144000
- DEA Controlled Substances
- 4000 CSA · CSCN: 4000CSA SCH: Schedule IIINARC: No
Safety & regulation
Hazard information
Regulatory InformationDEA schedule III controlled substance
Safety data
- wgk
- 3
- hs_code
- 29144000
- DEA Controlled Substances
- CSCN: 4000CSA SCH: Schedule IIINARC: No
Chemistry & industry
Pharmacology
Tissue LocationsTestis
Cellular LocationsEndoplasmic reticulum
Metabolite PathwaysAndrostenedione Metabolism
Applications
Uses5α-Androstanedione is a metabolite of Androstendione (A637550). 5α-Androstanedione is an important intermediate in the conversion of Androstenedione to Androstanolone (A637540).
Suppliers34 total
Hebei shuoxi biotechnology co. LTD+8613081092107
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
郑州凡尔赛特化工有限公司0371-67991738 13783628208
上海稳同科技有限公司02151600108 13062666369 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
山东君瑞医药科技有限公司0539-5636807 15762008972 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
青岛浩海安杰医药科技有限公司156-6622-8711 18639325623 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Additional notes
DefinitionChEBI: The 5alpha-stereoisomer of androstane-3,17-dione.
Related reactions
2 records
Compound notes
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