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92472-37-2 | (4ar,4bs,6as,7s,9as,9br)-7-hydroxy-1,4a,6a-trimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2h-indeno[5,4-f]quinolin-2-one
CAS No: 92472-37-2 Catalog No: AG00654W MDL No:
Product Description
Catalog Number:
AG00654W
Chemical Name:
(4ar,4bs,6as,7s,9as,9br)-7-hydroxy-1,4a,6a-trimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2h-indeno[5,4-f]quinolin-2-one
CAS Number:
92472-37-2
Molecular Formula:
C19H29NO2
Molecular Weight:
303.4391
IUPAC Name:
(1S,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
InChI:
InChI=1S/C19H29NO2/c1-18-11-9-17(22)20(3)15(18)6-4-12-13-5-7-16(21)19(13,2)10-8-14(12)18/h6,12-14,16,21H,4-5,7-11H2,1-3H3/t12-,13-,14-,16-,18+,19-/m0/s1
InChI Key:
MICZNRRTCUCNTP-BMSLSITRSA-N
SMILES:
O=C1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2O)C)N1C)C
NSC Number:
57434
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
303.22g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.446g/mol
Monoisotopic Mass:
303.22g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Azasteroids: structure-activity relationships for inhibition of 5 alpha-reductase and of androgen receptor binding. | Journal of medicinal chemistry 19861101 |
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