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Substance Name: MC-1046
RN: 126860-83-1
UNII: G70BS4HF9Z
InChIKey: KKDBQSPKXAUHPH-NRCQPIEOSA-N

Molecular Weight

  • 410.5942
 
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Names and Synonyms

Name of Substance

  • MC-1046

Synonyms

  • (5Z,7E,22E)-24-Cyclopropyl-1alpha,3beta-dihydroxy-9,10-secochola-5,7,10(19),22-tetraen-24-one
  • 9,10-Secochola-5,7,10(19),22-tetraen-24-one, 24-cyclopropyl-1,3-dihydroxy-, (1alpha,3beta,5Z,7E,22E)-
  • Calcipotriol, anhydrous impurity A [EP]
  • Calcipotriol, anhydrous specified impurity A [EP]
  • MC 1046
  • MC-1046
  • UNII-G70BS4HF9Z

Registry Numbers

CAS Registry Number

  • 126860-83-1

FDA UNII

  • G70BS4HF9Z

System Generated Number

  • 0126860831

Structure Descriptors

InChI

1S/C27H38O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-24,26,28,30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,26+,27-/m1/s1

InChIKey

KKDBQSPKXAUHPH-NRCQPIEOSA-N

Smiles

C[C@H](/C=C/C(=O)C1CC1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C