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Finasteride Carboxaldehyde

CAT: 0572-TRC-F342005-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F342005-10MGSize:10 mg
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CAS Number
154387-61-8
Synonyms
1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethyl-2-oxoethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-; 4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethyl-2-oxoethyl)-3-oxo-, (5α,17β)-; (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethyl-2-oxoethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide; 1H-Indeno[5,4-f]quinoline, 4-azaandrost-1-ene-17-carboxamide deriv.; Finasteride-ω-al
Hazard Statement
No Data Available
Smiles
CC(C)(NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C=O
Molecular Formula
C23 H34 N2 O3
Molecular Weight
386.53
InChI
InChI=1S/C23H34N2O3/c1-21(2,13-26)25-20(28)17-7-6-15-14-5-8-18-23(4,12-10-19(27)24-18)16(14)9-11-22(15,17)3/h10,12-18H,5-9,11H2,1-4H3,(H,24,27)(H,25,28)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
Additionnal Information
IUPAC name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-N-(2-methyl-1-oxopropan-2-yl)-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Finasteride Carboxaldehyde
CAS Number154387-61-8
PubChem CID15230774
IUPAC Name(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-N-(2-methyl-1-oxopropan-2-yl)-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
Molecular FormulaC23H34N2O3
Molecular Weight386.5
XLogP2.2
Topological Polar Surface Area75.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity729
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C=O)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C23H34N2O3/c1-21(2,13-26)25-20(28)17-7-6-15-14-5-8-18-23(4,12-10-19(27)24-18)16(14)9-11-22(15,17)3/h10,12-18H,5-9,11H2,1-4H3,(H,24,27)(H,25,28)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
InChIKey
GWKLHNVFRBYLTN-WSBQPABSSA-N
Chemical Structure
2D Structure
2D structure of Finasteride Carboxaldehyde
CAS: 154387-61-8
CID: 15230774
Formula: C23H34N2O3
MW: 386.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight386.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass386.25694295
Monoisotopic Mass386.25694295
Topological Polar Surface Area75.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity729
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes