Products 116846-77-6

CAS 116846-77-6 is the registry number for Betamethasone Impurity 64. Offered by: Chemat Brand. Available pack sizes: on request.

Betamethasone Impurity 64
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(8S,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one (CAS 116846-77-6) is a chemical compound with the molecular formula C22H27ClO3 and a molecular weight of 374.9 g/mol. IUPAC name: (8S,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one. InChIKey: MBKAANDQMJJTRM-AKXKBWEISA-N.

Identity
Molecular formulaC22H27ClO3
Molecular weight374.9 g/mol
IUPAC name(8S,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one
InChIKeyMBKAANDQMJJTRM-AKXKBWEISA-N
SMILESC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CCl)O)C)C

Computed by PubChem (NCBI)

Synonyms: Betamethasone Impurity 27, Betamethasone Impurity 40, (16beta)-21-Chloro-17-hydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione, 21-Chloro-17-hydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione, (16beta)-, Pregna-1,4,9(11)-triene-3,20-dione, 21-chloro-17-hydroxy-16-methyl-, (16beta)-
Related forms of this compound
(8S,10S,13S,14S,16R,17R)-17-(2-chloroacetyl)-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one C22H27ClO3
Isomers (same molecular formula)
(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-15-hydroxy-2,16-dimethylpentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dien-6-one C22H27ClO3