25-Hydroxyvitamin D3 3-(N-(4-Azido-2-Nitrophenyl)Glycinate)
[CAS# 101396-04-7]

Identification

• Name: 25-Hydroxyvitamin D3 3-(N-(4-Azido-2-Nitrophenyl)Glycinate)
• Synonyms: [(1S,3Z)-3-[(2E)-2-[(1R,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexyl] 2-[(4-Azido-2-Nitro-Phenyl)Amino]Acetate; 2-[(4-Azido-2-Nitrophenyl)Amino]Acetic Acid [(1S,3Z)-3-[(2E)-2-[(1R,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexyl] Ester; 2-[(4-Azido-2-Nitro-Phenyl)Amino]Acetic Acid [(1S,3Z)-3-[(2E)-2-[(1R,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexyl] Ester
• Molecular Formula: C₃₅H₄₉N₅O₅
• Molecular Weight: 619.80
• CAS Registry Number: 101396-04-7
• SMILES: [N+](=NC4=CC=C(NCC(O[C@@H]3C\C(=C\C=C/2C1[C@@]([C@H](CC1)[C@@H](CCCC(O)(C)C)C)(CCC2)C)C(CC3)=C)=O)C(=C4)[N+]([O-])=O)=[N-]
• 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-ZUTPNRPGSA-N