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10063-16-8 | Androst-4-en-3-one, 17-(dimethylamino)-, (17β)- (9CI)
CAS No: 10063-16-8 Catalog No: AG0002J0 MDL No:
Product Description
Catalog Number:
AG0002J0
Chemical Name:
Androst-4-en-3-one, 17-(dimethylamino)-, (17β)- (9CI)
CAS Number:
10063-16-8
Molecular Formula:
C21H33NO
Molecular Weight:
315.4928
IUPAC Name:
17-(dimethylamino)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C21H33NO/c1-20-11-9-15(23)13-14(20)5-6-16-17-7-8-19(22(3)4)21(17,2)12-10-18(16)20/h13,16-19H,5-12H2,1-4H3
InChI Key:
QAATUIAEDYCVNN-UHFFFAOYSA-N
SMILES:
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2N(C)C)C)C
NSC Number:
119077
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.256g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.501g/mol
Monoisotopic Mass:
315.256g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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