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16316-40-8 | Pregn-5-en-3-ol, 20-(methylamino)-, (3β,20R)- (9CI)
CAS No: 16316-40-8 Catalog No: AG001TTL MDL No:
Product Description
Catalog Number:
AG001TTL
Chemical Name:
Pregn-5-en-3-ol, 20-(methylamino)-, (3β,20R)- (9CI)
CAS Number:
16316-40-8
Molecular Formula:
C22H37NO
Molecular Weight:
331.5353
IUPAC Name:
10,13-dimethyl-17-[1-(methylamino)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI:
InChI=1S/C22H37NO/c1-14(23-4)18-7-8-19-17-6-5-15-13-16(24)9-11-21(15,2)20(17)10-12-22(18,19)3/h5,14,16-20,23-24H,6-13H2,1-4H3
InChI Key:
DUTRRAKUNDUIQG-UHFFFAOYSA-N
SMILES:
CN[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
NSC Number:
114501
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.288g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.544g/mol
Monoisotopic Mass:
331.288g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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