Basic information
- CAS
1420-49-1- Standard SMILES
C[C@]12CCC=CC1=CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
VHDOTNMSJDQVEE-ZENYQMPMSA-N- Molecular formula
- C19H24O2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.17763
Names & identifiers
- Preferred name
- Androsta-3,5-diene-7,17-dione
- IUPAC
- (8R,9S,10R,13S,14S)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
- English name
- Androsta-3,5-diene-7,17-dione
- Molecular formula
- C19H24O2
- Molecular weight
- 284.39
Names & synonyms
Androsta-3,5-diene-7,17-dione1420-49-1ARIMISTANE77P0LYX19TNSC-134910DTXSID50931294RefChem:112632DTXCID701360006Androst-3,5-diene-7,17-dione(8R,9S,10R,13S,14S)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-7,17-dione3,5-Androstadiene-7,17-dioneUNII-77P0LYX19T
Show more names
androsta-3,5-diene-7,17-dione(arimistane)Androst-3,5-dien-7,17-dioneArimistane/ Androsta-3,5-diene-7,17-dioneTIANFU-CHEM Androsta-3,5-diene-7,17-dioneArimistane (Androsta 3, 5-Dien-7, 17-Dione )
(3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,4-dioneNSC 134910SCHEMBL1813424CHEMBL5266519BAA42049MFCD28368998MSK011040MSK011040-100A
Database identifiers
- CAS
1420-49-1
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 584
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Steroids
Physicochemical properties
- Melting point
- 167 · 167-168℃
- Boiling point
- 449.3 · 449.3±45.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Pale Beige
- InChI
- InChI=1S/C19H24O2/c1-18-9-4-3-5-12(18)11-15(20)17-13-6-7-16(21)19(13,2)10-8-14(17)18/h3,5,11,13-14,17H,4,6-10H2,1-2H3/t13-,14-,17-,18-,19-/m0/s1
- InChIKey
- VHDOTNMSJDQVEE-ZENYQMPMSA-N
- SMILES
- C1=CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)C(=O)C=2
- FDA UNII
- 77 P0LYX19T · 77P0LYX19T
Chemistry & industry
Applications
UsesArimistane is an aromatase inhibitor used in the reduction of estrogen production as well as a potential reagent in the synthesis of anti-cancer agent MGC-803.
Suppliers39 total
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
陕西林奈生物化工有限公司15327269642 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
Hebei Shengyuan Jinlong Import and Export Co. LTD+86-17367750398 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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