Products 97830-94-9

CAS 97830-94-9 appears in our catalog under these names: Prednisone Impurity 9 (Mixture of Z and E Isomers), 3,20-Disemicarbazone-11beta,17,21-trihydroxy-pregna-1,4-diene-3,20-dione. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 100mg.

Prednisone Impurity 9 (Mixture of Z and E Isomers)
Chemat Brand
  • size: on request
  • Variants: 1
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3,20-Disemicarbazone-11beta,17,21-trihydroxy-pregna-1,4-diene-3,20-dione
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

[(E)-[(8S,9S,10R,11S,13S,14S,17R)-17-[(Z)-N-(carbamoylamino)-C-(hydroxymethyl)carbonimidoyl]-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ylidene]amino]urea (CAS 97830-94-9) is a chemical compound with the molecular formula C23H34N6O5 and a molecular weight of 474.6 g/mol. IUPAC name: [(E)-[(8S,9S,10R,11S,13S,14S,17R)-17-[(Z)-N-(carbamoylamino)-C-(hydroxymethyl)carbonimidoyl]-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ylidene]amino]urea. InChIKey: CMLXEQCNJGFFHN-TTWGAXLHSA-N.

Identity
Molecular formulaC23H34N6O5
Molecular weight474.6 g/mol
IUPAC name[(E)-[(8S,9S,10R,11S,13S,14S,17R)-17-[(Z)-N-(carbamoylamino)-C-(hydroxymethyl)carbonimidoyl]-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ylidene]amino]urea
InChIKeyCMLXEQCNJGFFHN-TTWGAXLHSA-N
SMILESC[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(/C(=N\NC(=O)N)/CO)O)CCC4=C/C(=N/NC(=O)N)/C=C[C@]34C)O

Computed by PubChem (NCBI)

Synonyms: Prednisone Impurity 13, 3,20-Disemicarbazone-11beta,17,21-trihydroxy-pregna-1,4-diene-3,20-dione, "3,20-Disemicarbazone-11beta,17,21-trihydroxy-pregna-1,4-diene-3,20-dione"