Icomethasone
CAS Registry Number®
4647-20-5
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CAS Name
IcomethasoneMolecular Formula
C22H29ClO5Molecular Mass
408.92Cite this Page
Icomethasone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4647-20-5 (retrieved ) (CAS RN: 4647-20-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
229-234 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
InChIKey
InChIKey=NBMKJKDGKREAPL-CXSFZGCWSA-N
SMILES
Cl[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(CO)=O)(O)[C@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Canonical SMILES
O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)CO)C4(C)CC(O)C32Cl)C
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 9-chloro-11,17,21-trihydroxy-16-methyl-, (11β,16α)-
- Pregna-1,4-diene-3,20-dione, 9-chloro-11β,17,21-trihydroxy-16α-methyl-
- (11β,16α)-9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
- Icometasone
- Icomethasone
