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Substance Name: SK&F 100398
RN: 77453-01-1
InChIKey: SDFJYGJKEXYVCG-HQAJSCLBSA-N

Note

  • Vasopressin antagonist.

Classification Codes

  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists

Molecular Formula

  • C53-H77-N13-O11-S2

Molecular Weight

  • 1136.4
 
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Names and Synonyms

Name of Substance

  • SK&F 100398

Synonyms

  • 1-(beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2-(O-ethyl-tyr)-4-val-arginine vasopressin
  • Argipressin, beta-mercapto-beta,beta-cyclopentamethylenepropionic acid(1)-O-ethyltyrosyl(2)-valine(4)-
  • d(CH2)5(D-Tyr(Et)2)vavp
  • d(CH2)5(Tyr(Et)2)vavp
  • d(CH2)5Tyr(Et)Vavp
  • d(CH2)5Tyr(Et)Vdavp
  • SK&F 101498
  • SK&F-100398
  • Skf 100398
  • Skf 101498

Systematic Name

  • Vasopressin, 1-(1-mercaptocyclohexaneacetic acid)-2-(O-ethyl-L-tyrosine)-4-L-valine-8-L-arginine-

Registry Numbers

CAS Registry Number

  • 77453-01-1

System Generated Number

  • 0077453011

Structure Descriptors

InChI

1S/C53H77N13O11S2/c1-4-77-34-19-17-33(18-20-34)26-36-46(71)62-37(25-32-13-7-5-8-14-32)48(73)65-44(31(2)3)50(75)63-38(27-41(54)67)47(72)64-39(30-78-79-53(28-43(69)60-36)21-9-6-10-22-53)51(76)66-24-12-16-40(66)49(74)61-35(15-11-23-58-52(56)57)45(70)59-29-42(55)68/h5,7-8,13-14,17-20,31,35-40,44H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,67)(H2,55,68)(H,59,70)(H,60,69)(H,61,74)(H,62,71)(H,63,75)(H,64,72)(H,65,73)(H4,56,57,58)/t35?,36-,37-,38-,39-,40-,44-/m0/s1

InChIKey

SDFJYGJKEXYVCG-HQAJSCLBSA-N

Smiles

N1(C([C@H]2NC([C@@H](NC([C@@H](NC([C@H](Cc3ccccc3)NC([C@@H](NC(CC3(SSC2)CCCCC3)=O)Cc2ccc(cc2)OCC)=O)=O)C(C)C)=O)CC(=O)N)=O)=O)[C@H](C(N[C@@H](C(NCC(=O)N)=O)CCCNC(=N)N)=O)CCC1