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Substance Name: 3-Deoxy-3-azido-25-hydroxyvitamin D3
RN: 108345-00-2
InChIKey: XSCCVONAMAFUQP-LQHRJJHOSA-N

Molecular Formula

  • C27-H43-N3-O

Molecular Weight

  • 425.657
 
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Names and Synonyms

Name of Substance

  • 3-Deoxy-3-azido-25-hydroxyvitamin D3

Synonyms

  • 3-Azido-9,10-secocholesta-5,7,10(19)-trien-25-ol (3beta,5Z,7E)-
  • 3-Dahv-D3
  • 3-Deoxy-3-azido-25-hydroxycholecalciferol

Systematic Name

  • 9,10-Secocholesta-5,7,10(19)-trien-25-ol, 3-azido-, (3beta,5Z,7E)-

Registry Numbers

CAS Registry Number

  • 108345-00-2

System Generated Number

  • 0108345002

Structure Descriptors

InChI

1S/C27H43N3O/c1-19-10-13-23(29-30-28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)31/h11-12,20,23-25,31H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23-,24+,25+,27-/m1/s1

InChIKey

XSCCVONAMAFUQP-LQHRJJHOSA-N

Smiles

C1[C@H](C\C(=C\C=C2\[C@@H]3CC[C@H]([C@@H](CCCC(C)(C)O)C)[C@@]3(C)CCC2)C(C1)=C)N=[N+]=[N-]