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Finasteride Carboxylic Acid

CAT: 0572-TRC-F342015-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F342015-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116285-37-1
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
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)O
Molecular Formula
C23 H34 N2 O4
Molecular Weight
402.53
InChI
InChI=1S/C23H34N2O4/c1-21(2,20(28)29)25-19(27)16-7-6-14-13-5-8-17-23(4,12-10-18(26)24-17)15(13)9-11-22(14,16)3/h10,12-17H,5-9,11H2,1-4H3,(H,24,26)(H,25,27)(H,28,29)/t13-,14-,15-,16+,17+,22-,23+/m0/s1
Additionnal Information
IUPAC name: 2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carbonyl]amino]-2-methylpropanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Finasteride carboxylic acid

Finasteride Carboxylic Acid is a 3-hydroxy steroid. It has a role as an androgen.

CAS Number116285-37-1
PubChem CID18632991
IUPAC Name2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carbonyl]amino]-2-methylpropanoic acid
Molecular FormulaC23H34N2O4
Molecular Weight402.5
XLogP2.2
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity775
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C(=O)O)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C23H34N2O4/c1-21(2,20(28)29)25-19(27)16-7-6-14-13-5-8-17-23(4,12-10-18(26)24-17)15(13)9-11-22(14,16)3/h10,12-17H,5-9,11H2,1-4H3,(H,24,26)(H,25,27)(H,28,29)/t13-,14-,15-,16+,17+,22-,23+/m0/s1
InChIKey
OFTBMAPJHKDDJV-MKMSXTRJSA-N
Chemical Structure
2D Structure
2D structure of Finasteride carboxylic acid
CAS: 116285-37-1
CID: 18632991
Formula: C23H34N2O4
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass402.25185757
Monoisotopic Mass402.25185757
Topological Polar Surface Area95.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity775
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

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Alternative Products

CatalogName
AR-F01440-01Finasteride Carboxylic Acid
AR-F10042-01Finasteride Carboxylic Acid-D6
RM-F141905-01Finasteride Dihydro Carboxylic Acid
sc-497519Finasteride-d6 Carboxylic Acid
RM-F141907-01Finasteride Dehydro Carboxylic Acid
450069-01Finasteride Carboxylic Acid Methyl Ester
RM-F141906-01Finasteride Dihydro Carboxylic Acid Methyl Ester
CS-O-440511-hydroxy Dihydro Finasteride carboxylic acid
RM-F141908-01Finasteride Dehydro Carboxylic Acid Methyl Ester
AR-D02574-011,2-Dihydro Finasteride Carboxylic Acid (Dutasteride Impurity)

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