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Substance Name: 4-Hydroxytamoxifen beta-glucuronide
RN: 128255-45-8
InChIKey: SVFHAYXIYPCIFK-DKNZORBSSA-N

Molecular Weight

  • 563.643
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxytamoxifen beta-glucuronide

Synonym

  • 4-Htbg

Registry Numbers

CAS Registry Number

  • 128255-45-8

System Generated Number

  • 0128255458

Structure Descriptors

InChI

1S/C32H37NO8/c1-4-25(21-11-7-5-8-12-21)26(22-15-17-23(18-16-22)39-20-19-33(2)3)32(38)28(35)27(34)31(41-29(32)30(36)37)40-24-13-9-6-10-14-24/h5-18,27-29,31,34-35,38H,4,19-20H2,1-3H3,(H,36,37)/b26-25-/t27-,28-,29-,31-,32+/m1/s1

InChIKey

SVFHAYXIYPCIFK-DKNZORBSSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@](O)([C@H](O1)C(=O)O)C(=C(/CC)c1ccccc1)\c1ccc(cc1)OCCN(C)C)c1ccccc1