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Substance Name: 1,25-Dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate)
RN: 98728-28-0
InChIKey: ODNIJOYMFWOCIT-SJCVYHJYSA-N

Molecular Formula

  • C35-H49-N5-O6

Molecular Weight

  • 635.801
 
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Names and Synonyms

Name of Substance

  • 1,25-Dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate)

Synonyms

  • Calcitriol-ang
  • N-(4-Azido-2-nitrophenyl)glycine (1alpha,3beta,5Z,7E)-1,25-dihydroxy-9,10-secocholesta-5,7,10(19)-trien-3-yl ester

Systematic Name

  • Glycine, N-(4-azido-2-nitrophenyl)-, (1alpha,3beta,5Z,7E)-1,25-dihydroxy-9,10-secocholesta-5,7,10(19)-trien-3-yl ester

Registry Numbers

CAS Registry Number

  • 98728-28-0

System Generated Number

  • 0098728280

Structure Descriptors

InChI

1S/C35H49N5O6/c1-22(8-6-16-34(3,4)43)28-13-14-29-24(9-7-17-35(28,29)5)10-11-25-18-27(20-32(41)23(25)2)46-33(42)21-37-30-15-12-26(38-39-36)19-31(30)40(44)45/h10-12,15,19,22,27-29,32,37,41,43H,2,6-9,13-14,16-18,20-21H2,1,3-5H3/b24-10-,25-11-/t22-,27?,28-,29+,32+,35-/m1/s1

InChIKey

ODNIJOYMFWOCIT-SJCVYHJYSA-N

Smiles

c1cc(NCC(O[C@@H]2C[C@@H](C(\C(C2)=C/C=C2/CCC[C@@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)=C)O)=O)c([N+]([O-])=O)cc1N=[N+]=[N-]