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Substance Name: Saralasin acetate anhydrous
RN: 54194-01-3
UNII: U603K01682
InChIKey: JFPFCTNAFOZCDA-LYHTUURTSA-N

Molecular Formula

  • C42-H65-N13-O10.C2-H4-O2

Molecular Weight

  • 972.1081
 
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Names and Synonyms

Name of Substance

  • Saralasin acetate anhydrous

Synonyms

  • Saralasin acetate anhydrous
  • UNII-U603K01682

Registry Numbers

CAS Registry Number

  • 54194-01-3

FDA UNII

  • U603K01682

System Generated Number

  • 0054194013

Structure Descriptors

InChI

1S/C42H65N13O10.C2H4O2/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65;1-2(3)4/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47);1H3,(H,3,4)/t24-,28-,29-,30-,31-,33-,34-;/m0./s1

InChIKey

JFPFCTNAFOZCDA-LYHTUURTSA-N

Smiles

C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC.CC(=O)O