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Lapisteride

CAT: 0931-T27798-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27798-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
142139-60-4
Target
Others, Reductase
Related Pathways
Others, Metabolism, Endocrinology/Hormones
Purity
>99.99%
Bioactivity
Lapisteride (CS-891) a steroidal 5α-reductase inhibitor is used to treat benign prostatic hyperplasia (BPH) and androgenetic alopecia and may be effective in preventing or treating AGA .
Smiles
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(NC(=O)C=C4)[H])(CC1)[H])[H])(CC[C@@H]2C(NC(C)(C)C5=CC=C(OC)C=C5)=O)[H]
Molecular Formula
C29H40N2O3
Molecular Weight
464.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lapisteride

Lapisteride is a small molecule drug. The usage of the INN stem '-steride' in the name indicates that Lapisteride is a androgen/anabolic steroid. Lapisteride has a monoisotopic molecular weight of 464.3 Da.

CAS Number142139-60-4
PubChem CID9847295
IUPAC Name(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2-(4-methoxyphenyl)propan-2-yl]-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 FormulaC29H40N2O3
Molecular Weight464.6
XLogP4.1
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity844
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C4=CC=C(C=C4)OC)CC[C@@H]5[C@@]3(C=CC(=O)N5)C
InChI
InChI=1S/C29H40N2O3/c1-27(2,18-6-8-19(34-5)9-7-18)31-26(33)23-12-11-21-20-10-13-24-29(4,17-15-25(32)30-24)22(20)14-16-28(21,23)3/h6-9,15,17,20-24H,10-14,16H2,1-5H3,(H,30,32)(H,31,33)/t20-,21-,22-,23+,24+,28-,29+/m0/s1
InChIKey
NAGKTIAFDQEFJI-DPMIIFTQSA-N
Chemical Structure
2D Structure
2D structure of Lapisteride
CAS: 142139-60-4
CID: 9847295
Formula: C29H40N2O3
MW: 464.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight464.6
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass464.30389314
Monoisotopic Mass464.30389314
Topological Polar Surface Area67.4 Ų
Heavy Atom Count34
Formal Charge0
Complexity844
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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