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Substance Name: 25-Hydroxyvitamin D3 3-(N-(4-azido-2-nitrophenyl)glycinate)
RN: 101396-04-7
InChIKey: SAGRKFMIWKIUIV-IQRITIODSA-N

Molecular Formula

  • C35-H49-N5-O5

Molecular Weight

  • 619.8021
 
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Names and Synonyms

Name of Substance

  • 25-Hydroxyvitamin D3 3-(N-(4-azido-2-nitrophenyl)glycinate)

Synonym

  • Calcifediol-3-anpg

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101396-04-7

System Generated Number

  • 0101396047

Structure Descriptors

InChI

1S/C35H49N5O5/c1-23-10-14-28(45-33(41)22-37-31-17-13-27(38-39-36)21-32(31)40(43)44)20-26(23)12-11-25-9-7-19-35(5)29(15-16-30(25)35)24(2)8-6-18-34(3,4)42/h11-13,17,21,24,28-30,37,42H,1,6-10,14-16,18-20,22H2,2-5H3/b25-11+,26-12-/t24-,28-,29-,30?,35-/m1/s1

InChIKey

SAGRKFMIWKIUIV-IQRITIODSA-N

Smiles

C[C@H](CCCC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)OC(=O)CNc4ccc(cc4[N+](=O)[O-])N=[N+]=[N-])C