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5,6-Dehydro Finasteride

CAT: 0572-TRC-D229655-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D229655-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1800205-94-0
Synonyms
N-(1,1-Dimethylethyl)-3-oxo-4-azaandrosta-1,5-diene-17β-carboxamide; (4aR,4bS,6aS,7S,9aS,9bS)-N-(1,1-Dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide; 5,6-Dehydrofinasteride; 1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS)-; N-(1,1-Dimethylethyl)-3-oxo-4-azaandrosta-1,5-diene-17beta-carboxamide; (4aR,4bS,6aS,7S,9aS,9bS)-N-(tert-butyl)-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
Molecular Formula
C23 H34 N2 O2
Molecular Weight
370.53
InChI
InChI=1S/C23H34N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h9,11,13-17H,6-8,10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,22-,23+/m0/s1
Additionnal Information
IUPAC name: (1S,3aS,3bS,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,9b,10,11-decahydroindeno[5,4-f]quinoline-1-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Delta5-finasteride
CAS Number1800205-94-0
PubChem CID58630855
IUPAC Name(1S,3aS,3bS,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,9b,10,11-decahydroindeno[5,4-f]quinoline-1-carboxamide
Molecular FormulaC23H34N2O2
Molecular Weight370.5
XLogP4.1
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity731
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC=C4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C23H34N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h9,11,13-17H,6-8,10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,22-,23+/m0/s1
InChIKey
LNFKNSWOVCPIGC-FIIPNDBVSA-N
Chemical Structure
2D Structure
2D structure of Delta5-finasteride
CAS: 1800205-94-0
CID: 58630855
Formula: C23H34N2O2
MW: 370.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass370.262028332
Monoisotopic Mass370.262028332
Topological Polar Surface Area58.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity731
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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437228-015,6,7,8-Dehydro Finasteride
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RM-F141907-01Finasteride Dehydro Carboxylic Acid
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sc-4975215β-Finasteride
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