Basic information
- CAS
98319-24-5- Standard SMILES
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
ZOIUUCNFVDJSJK-WSBQPABSSA-N- Molecular formula
- C23H38N2O2
- Average molar mass
- 374.6 g/mol
- Monoisotopic mass
- 374.29332846
Names & identifiers
- Preferred name
- (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno(5,4-f)quinoline-7-carboxamide
- IUPAC
- (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
- English name
- Dihydroproscar
- Molecular formula
- C23H38N2O2
- Molecular weight
- 374.56
Names & synonyms
(4AR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno(5,4-f)quinoline-7-carboxamideRefChem:403148642-100-2Dihydroproscar98319-24-5Dihydro FinasterideDihydrofinasterideFinasteride EP Impurity AFinasteride Impurity A1,2-DihydrofinasterideMFCD00214352
Show more names
ANDROST-4-AZA-3-ONE-17BETA-N-TERT-BUTYL CARBOXAMIDEN-tert-butyl-3-oxo-4-aza-5α-androst-17β-carboxamide17β-(t-Butylcarbamoyl)-4-aza-5α-androstan-3-one3-oxo-4-aza-5a-androstane-17b-(n-tert-butylcarboxamide)DihydropercaFinasteride-ADihydro Persian Card
YXO6UEY0UP3-Oxo-4-aza-5-alpha-androstane-17-beta-N-t-butylcarboxamide(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)hexadecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide1H-Indeno[5,4-f]quinoline-7-carboxamide,N-(1,1-dimethylethyl)hexadecahydro-4a,6a-dimethyl-2-oxo-,(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1H-Indeno(5,4-f)quinoline-7-carboxamide, N-(1,1-dimethylethyl)hexadecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)C23H38N2O2(5|A,17|A)-N-(1,1-Dimethylethyl)-3-oxo-4-aza-androstane-17-carboxamide
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 639
Physicochemical properties
- Melting point
- 273 · 273-275 °C
- Boiling point
- 569.4 · 569.4±49.0 °C(Predicted)
- Density
- 1.051 · 1.051±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Chloroform (Slightly), Methanol
- pka
- 15.94 · 15.94±0.70(Predicted)
- form
- powder
- color
- yellow
- optical activity
- 55.5 ° · 55.5°(C=0.01g/ml MEOH)
- InChIKey
- ZOIUUCNFVDJSJK-WSBQPABSSA-N
- SMILES
- N1[C@@]2([H])[C@@](C)([C@@]3([H])CC[C@@]4(C)[C@]([H])([C@]3([H])CC2)CC[C@@H]4C(NC(C)(C)C)=O)CCC1=O
- FDA UNII
- 6 UEY0UP · YXO6UEY0UP
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 341 · H341-H302
- Precautionary statements
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- 3
- hs_code
- 29242990
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H341-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
UsesThe reduced product of Finasteride (F342000): a mechanism-based inhibitor of human prostate and skin steroid 5α-reductase. It forms an enzyme-bound NADP-dihydrofinasteride adduct during this inhibitor y process.
UsesDihydro Finasteride (Finasteride EP Impurity A) is the reduced product of Finasteride (F342000): a mechanism-based inhibitor of human prostate and skin steroid 5α-reductase. It forms an enzyme-bound NADP-dihydrofinasteride adduct during this inhibitory process.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
Hebei shuoxi biotechnology co. LTD+8613081092107
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Related reactions
2 records
Compound notes
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