Prednazoline
CAS Registry Number®
6693-90-9
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CAS Name
PrednazolineMolecular Formula
C21H29O8P.C13H18N2OCite this Page
Prednazoline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6693-90-9 (retrieved ) (CAS RN: 6693-90-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H29O8P.C13H18N2O/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);3-6,10H,7-9H2,1-2H3,(H,14,15)/t14-,15-,16-,18+,19-,20-,21-;/m0./s1
InChIKey
InChIKey=WBNNIURTBZHJTI-WDCKKOMHSA-N
SMILES
O(CC=1NCCN1)C2=C(C(C)C)C=CC=C2.C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(CC[C@@]2(C(COP(=O)(O)O)=O)O)[H]
Canonical SMILES
O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COP(=O)(O)O)C4(C)CC(O)C32)C.N1=C(NCC1)COC=2C=CC=CC2C(C)C
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, (11β)-, compd. with 4,5-dihydro-2-[[2-(1-methylethyl)phenoxy]methyl]-1H-imidazole (1:1)
- Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-(dihydrogen phosphate), compd. with 2-[(o-cumenyloxy)methyl]-2-imidazoline (1:1)
- Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-(di-H phosphate), compd. with 2-[(o-cumenyloxy)methyl]-2-imidazoline
- 2-Imidazoline, 2-[(o-cumenyloxy)methyl]-, compd. with 11β,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate) (1:1)
- Prednazoline
