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13649-57-5 | 5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, 11,21-dihydroxy-2'-methyl-, (11β,16β)-
CAS No: 13649-57-5 Catalog No: AG0011X8 MDL No:
Product Description
Catalog Number:
AG0011X8
Chemical Name:
5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, 11,21-dihydroxy-2'-methyl-, (11β,16β)-
CAS Number:
13649-57-5
Molecular Formula:
C23H29NO5
Molecular Weight:
399.4801
IUPAC Name:
(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one
InChI:
InChI=1S/C23H29NO5/c1-12-24-23(18(28)11-25)19(29-12)9-16-15-5-4-13-8-14(26)6-7-21(13,2)20(15)17(27)10-22(16,23)3/h6-8,15-17,19-20,25,27H,4-5,9-11H2,1-3H3/t15-,16-,17-,19+,20+,21-,22-,23+/m0/s1
InChI Key:
KENSGCYKTRNIST-RVUAFKSESA-N
SMILES:
OCC(=O)C12N=C(OC1CC1[C@]2(C)C[C@H](O)C2[C@H]1CCC1=CC(=O)C=C[C@]21C)C
UNII:
T1LWN33J2P
Properties
Complexity:
890
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
399.205g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.487g/mol
Monoisotopic Mass:
399.205g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| [Pharmacokinetics of deflazacort tablets in healthy Chinese volunteers]. | Yao xue xue bao = Acta pharmaceutica Sinica 20140601 |
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