Finasteride Impurity 7

CAT: 1299-RM-F141933-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F141933-02Size:25 mg

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CAS Number

1385262-95-2

Synonyms

(4aR,4bS,6aS,7S,9aS,9bS) -methyl 4a,6a-dimethyl-2-oxohexadecahydroindeno[5,4-f]chromene-7-carboxylate

Molecular Formula

C20H30O4

Molecular Weight

334.45

Target Alternative Name

Finasteride

Product Name Synonym

(4aR,4bS,6aS,7S,9aS,9bS) -methyl 4a,6a-dimethyl-2-oxohexadecahydroindeno[5,4-f]chromene-7-carboxylate

Chemical Information

Finasteride Impurity 7

CAS Number	1385262-95-2
PubChem CID	176481031
IUPAC Name	methyl (1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxylate
Molecular Formula	C20H30O4
Molecular Weight	334.4
XLogP	4.2
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	558

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)OC)CCC4[C@@]3(CCC(=O)O4)C

InChI

InChI=1S/C20H30O4/c1-19-10-8-14-12(13(19)5-6-15(19)18(22)23-3)4-7-16-20(14,2)11-9-17(21)24-16/h12-16H,4-11H2,1-3H3/t12-,13-,14-,15+,16?,19-,20+/m0/s1

InChIKey

GVMIDNPLRPUGKS-BUIZJDPHSA-N

Chemical Structure

2D Structure

CAS: 1385262-95-2

CID: 176481031

Formula: C20H30O4

MW: 334.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	334.4
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	334.21440943
Monoisotopic Mass	334.21440943
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	558
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes