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Substance Name: Argipressin, (1-mercapto-4-methylcyclohexaneacetic acid)(1)-
RN: 119617-71-9
InChIKey: UNSADRFQSKUHRA-VUUAPHMOSA-N

Note

  • Vasopressin and vasopressin receptor antagonist.

Molecular Formula

  • C52-H74-N14-O12-S2

Molecular Weight

  • 1151.3746
 
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Names and Synonyms

Name of Substance

  • Argipressin, (1-mercapto-4-methylcyclohexaneacetic acid)(1)-

Synonyms

  • 1-(1-Mercapto-4-methylcyclohexaneacetic acid)-8-D-argininevasopressin
  • 1-(1-Mercapto-4-methylcyclohexaneacetic acid)-argipressin
  • Arginine vasopressin, (1-mercapto-4-methylcyclohexaneacetic acid)(1)-
  • Mecaavp
  • Mecadavp

Systematic Name

  • Vasopressin, 1-(1-mercapto-4-methylcyclohexaneacetic acid)-8-D-arginine-

Registry Numbers

CAS Registry Number

  • 119617-71-9

System Generated Number

  • 0119617719

Structure Descriptors

InChI

1S/C52H74N14O12S2/c1-29-17-19-52(20-18-29)26-43(71)60-35(24-31-11-13-32(67)14-12-31)46(74)63-36(23-30-7-3-2-4-8-30)47(75)61-34(15-16-40(53)68)45(73)64-37(25-41(54)69)48(76)65-38(28-79-80-52)50(78)66-22-6-10-39(66)49(77)62-33(9-5-21-58-51(56)57)44(72)59-27-42(55)70/h2-4,7-8,11-14,29,33-39,67H,5-6,9-10,15-28H2,1H3,(H2,53,68)(H2,54,69)(H2,55,70)(H,59,72)(H,60,71)(H,61,75)(H,62,77)(H,63,74)(H,64,73)(H,65,76)(H4,56,57,58)/t29?,33-,34+,35+,36+,37+,38+,39+,52?/m1/s1

InChIKey

UNSADRFQSKUHRA-VUUAPHMOSA-N

Smiles

CC1CCC2(CC1)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSS2)C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)Cc4ccccc4)Cc5ccc(cc5)O