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13648-01-6 | Androsta-2,4-dieno[2,3-d]isoxazol-17-ol, 17-methyl-, (17β)- (9CI)
CAS No: 13648-01-6 Catalog No: AG0011WJ MDL No:
Product Description
Catalog Number:
AG0011WJ
Chemical Name:
Androsta-2,4-dieno[2,3-d]isoxazol-17-ol, 17-methyl-, (17β)- (9CI)
CAS Number:
13648-01-6
Molecular Formula:
C21H29NO2
Molecular Weight:
327.4605
IUPAC Name:
2,17,18-trimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
InChI:
InChI=1S/C21H29NO2/c1-19-11-13-12-22-24-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h10,12,15-17,23H,4-9,11H2,1-3H3
InChI Key:
NYIRPOUXYQWAQW-UHFFFAOYSA-N
SMILES:
CC12Cc3cnoc3C=C1CCC1C2CCC2(C1CCC2(C)O)C
NSC Number:
43192
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.22g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.468g/mol
Monoisotopic Mass:
327.22g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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