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Substance Name: Vapreotide acetate
RN: 116430-60-5
UNII: 5562377HFV
InChIKey: KBIZSMHYSQUHDH-NCACADTJSA-N

Molecular Formula

  • C57-H70-N12-O9-S2.C2-H4-O2

Molecular Weight

  • 1191.4386
 
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Names and Synonyms

Name of Substance

  • Vapreotide acetate

Synonyms

  • BMY-41606 acetate
  • Docrised
  • DP-05-094
  • L-Tryptophanamide, D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2->7)-disulfide, acetate (salt)
  • L-Tryptophanamide, D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2->7)-disulfide, monoacetate (salt)
  • Octastatin acetate
  • RC-160 acetate
  • Sanvar
  • UNII-5562377HFV
  • Vapreotide acetate
  • Vapreotide acetate [MI]
  • Vapreotide acetate [USAN]
  • Vapreotide acetate [WHO-DD]
  • Vapreotide monoacetate

Registry Numbers

CAS Registry Number

  • 116430-60-5

FDA UNII

  • 5562377HFV

System Generated Number

  • 0116430605

Structure Descriptors

InChI

1S/C57H70N12O9S2.C2H4O2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58;1-2(3)4/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73);1H3,(H,3,4)/t40-,43+,44+,45+,46-,47+,48+,49+;/m1./s1

InChIKey

KBIZSMHYSQUHDH-NCACADTJSA-N

Smiles

CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N)NC(=O)[C@H](N)Cc7ccccc7.CC(=O)O