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Substance Name: Deloxolone [INN]
RN: 68635-50-7
UNII: I0E16819I3
InChIKey: VRFVGZRKFFTPCG-KYHPDETOSA-N

Molecular Formula

  • C34-H52-O6

Molecular Weight

  • 556.779
 
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Names and Synonyms

Name of Substance

  • Deloxolone [INN]

Synonyms

  • 3beta-(3-Carboxypropionyloxy)-9(11)-oleanen-30-saeure
  • Deloxolone
  • Deloxolonum
  • UNII-I0E16819I3

Systematic Name

  • 3beta-Hydroxyolean-9(11)-en-30-oic acid, hydrogen succinate

Registry Numbers

CAS Registry Number

  • 68635-50-7

FDA UNII

  • I0E16819I3

System Generated Number

  • 0068635507

Structure Descriptors

InChI

1S/C34H52O6/c1-29(2)23-12-15-34(7)24(32(23,5)14-13-25(29)40-27(37)11-10-26(35)36)9-8-21-22-20-31(4,28(38)39)17-16-30(22,3)18-19-33(21,34)6/h9,21-23,25H,8,10-20H2,1-7H3,(H,35,36)(H,38,39)/t21-,22+,23+,25+,30-,31+,32+,33-,34-/m1/s1

InChIKey

VRFVGZRKFFTPCG-KYHPDETOSA-N

Smiles

C1[C@@H](C(C)(C)[C@H]2[C@@](C3=CC[C@H]4[C@@]([C@]3(C)CC2)(C)CC[C@@]2(CC[C@@](C[C@@H]42)(C(O)=O)C)C)(C)C1)OC(CCC(O)=O)=O