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Finasteride-D9

CAT: 1134-ESS0194-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1134-ESS0194-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98319-26-7
GHS Codes
GHS07
P Phrases
P201, P202, P260
Structure Composition
C 72.39% H 7.13% N 7.34% O 8.39% D 4.75%
Synonyms
N- (tert-Butyl-D9) -3-oxo-4-aza-5a-androst-1-ene-17b-carboxamide
H Phrases
H302
UDF Signal Word
Warning
Hazard Statement
Not dangerous goods.
Applications
Labelled analog of Finasteride
Molecular Formula
C23H27N2O2D9
Molecular Weight
381.60984
Packaging Group
Not Available. Not dangerous goods.
Shipping Conditions
Room temerature
Storage Conditions
Freezer @ -20ºC
Hazardous Class
Not dangerous goods.

Chemical Information

Finasteride

Finasteride is an aza-steroid that is a synthetic drug for the treatment of benign prostatic hyperplasia. It has a role as an androgen antagonist, an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor and an antihyperplasia drug. It is an aza-steroid, a 3-oxo steroid and a delta-lactam. It derives from a hydride of a 5alpha-androstane.

CAS Number98319-26-7
PubChem CID57363
IUPAC Name(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
Molecular FormulaC23H36N2O2
Molecular Weight372.5
XLogP3
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity678
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C23H36N2O2/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/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
InChIKey
DBEPLOCGEIEOCV-WSBQPABSSA-N
Chemical Structure
2D Structure
2D structure of Finasteride
CAS: 98319-26-7
CID: 57363
Formula: C23H36N2O2
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass372.277678395
Monoisotopic Mass372.277678395
Topological Polar Surface Area58.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity678
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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