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Substance Name: 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin
RN: 112761-66-7
InChIKey: HVHGGOOPLAXKON-JKJQPJGOSA-N

Molecular Weight

  • 818.7409
 
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Names and Synonyms

Name of Substance

  • 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin

Synonym

  • Aipp-glud

Registry Numbers

CAS Registry Number

  • 112761-66-7

System Generated Number

  • 0112761667

Structure Descriptors

InChI

1S/C38H51IN4O8/c1-20-32(41-30(44)9-5-21-4-8-29(42-43-40)28(39)16-21)33(46)34(47)35(50-20)51-24-10-13-36(2)23(18-24)6-7-27-26(36)11-14-37(3)25(12-15-38(27,37)48)22-17-31(45)49-19-22/h4,8,16-17,20,23-27,32-35,46-48H,5-7,9-15,18-19H2,1-3H3,(H,41,44)/t20-,23-,24+,25-,26+,27-,32-,33+,34-,35+,36+,37-,38?/m1/s1

InChIKey

HVHGGOOPLAXKON-JKJQPJGOSA-N

Smiles

C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5(C4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)NC(=O)CCc7ccc(c(c7)I)N=[N+]=[N-]