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18119-98-7 | Estra-1,3,5(10)-trien-17-one, 3-amino-
CAS No: 18119-98-7 Catalog No: AG0022QO MDL No:
Product Description
Catalog Number:
AG0022QO
Chemical Name:
Estra-1,3,5(10)-trien-17-one, 3-amino-
CAS Number:
18119-98-7
Molecular Formula:
C18H23NO
Molecular Weight:
269.3813
IUPAC Name:
(8R,9S,13S,14S)-3-amino-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C18H23NO/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9,19H2,1H3/t14-,15-,16+,18+/m1/s1
InChI Key:
UNBVZLXCQDVEGX-CBZIJGRNSA-N
SMILES:
Nc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
269.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.388g/mol
Monoisotopic Mass:
269.178g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| E1-Ngn2/Cre is a new line for regional activation of Cre recombinase in the developing CNS. | Genesis (New York, N.Y. : 2000) 20041201 |
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