9-Chloro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21(trans)-[4-(acetamidomethyl)cyclohexane-1-carboxylate]

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CAS
86022-88-0
Size
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Purity
96%
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Catalog Number

ACM86022880

Product Name

9-Chloro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21(trans)-[4-(acetamidomethyl)cyclohexane-1-carboxylate]

Structure

CAS

86022-88-0

Category

Heterocyclic Organic Compound

Synonyms

Cyclomethasone; 9-Chloro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21(trans)-(4-(acetamidomethyl)cyclohexane-1-carboxylate); Einecs 289-141-9;

IUPAC Name

4-(acetamidomethyl)-1-[2-[(8S,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]cyclohexane-1-carboxylicacid

Molecular Weight

590.14726

Molecular Formula

C₃₂H₄₄ClNO₇

Canonical SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CC5(CCC(CC5)CNC(=O)C)C(=O)O)O)C)O)Cl)C

InChI Key

SETMQQVCRGRXGT-LGUVWUDESA-N

Boiling Point

776.4ºC at 760 mmHg

Flash Point

423.4ºC