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Substance Name: Mipsagargin [USAN:INN]
RN: 1245732-48-2
UNII: Q032I35QMX
InChIKey: UPYNTAIBQVNPIH-ODMLWHIESA-N

Classification Code

  • Treatment of PSMA-Expressing Cancers Including Hepatocellular Carcinoma and Prostate Cancer

Molecular Formula

  • C66-H100-N6-O27

Molecular Weight

  • 1409.531
 
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Names and Synonyms

Name of Substance

  • Mipsagargin
  • Mipsagargin [USAN:INN]

Synonyms

  • G-202
  • Mipsagargin
  • UNII-Q032I35QMX

Registry Numbers

CAS Registry Number

  • 1245732-48-2

FDA UNII

  • Q032I35QMX

System Generated Number

  • 1245732482

Structure Descriptors

InChI

1S/C66H100N6O27/c1-8-10-11-17-20-24-51(81)96-55-53-52(37(4)54(55)97-62(91)36(3)9-2)56-66(94,65(7,93)63(92)98-56)44(35-64(53,6)99-38(5)73)95-50(80)23-21-18-15-13-12-14-16-19-22-33-68-48(77)34-39(67)57(82)72-43(61(89)90)27-31-47(76)70-41(59(85)86)25-29-45(74)69-40(58(83)84)26-30-46(75)71-42(60(87)88)28-32-49(78)79/h9,39-44,53-56,93-94H,8,10-35,67H2,1-7H3,(H,68,77)(H,69,74)(H,70,76)(H,71,75)(H,72,82)(H,78,79)(H,83,84)(H,85,86)(H,87,88)(H,89,90)/b36-9-/t39-,40-,41-,42-,43-,44-,53+,54-,55-,56-,64-,65+,66+/m0/s1

InChIKey

UPYNTAIBQVNPIH-ODMLWHIESA-N

Smiles

CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)N)([C@](C(=O)O3)(C)O)O