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Substance Name: Darunavir hydrate
RN: 635728-40-4
UNII: KPC4NRB25L
InChIKey: JKQULTRRXSDLJN-VBTXLZOXSA-N

Molecular Weight

  • 565.6841
 
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Names and Synonyms

Name of Substance

  • Darunavir hydrate

Synonym

  • UNII-KPC4NRB25L

Registry Numbers

CAS Registry Number

  • 635728-40-4

FDA UNII

  • KPC4NRB25L

System Generated Number

  • 0635728404

Structure Descriptors

InChI

1S/C27H37N3O7S.H2O/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26;/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32);1H2/t22-,23-,24+,25-,26+;/m0./s1

InChIKey

JKQULTRRXSDLJN-VBTXLZOXSA-N

Smiles

CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N.O