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Substance Name: Lanreotide acetate [USAN]
RN: 127984-74-1
UNII: IEU56G3J9C
InChIKey: RUGAHXUZHWYHNG-NLGNTGLNSA-N

Classification Code

  • Antineoplastic

Molecular Formula

  • C54-H69-N11-O10-S2.x-C2-H4-O2

Molecular Weight

  • 2492.9342
 
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Names and Synonyms

Name of Substance

  • Lanreotide acetate [USAN]

Synonyms

  • 3-(2-Naphthyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-L-threoninamide, cyclic (2-7)-disulfide, acetate (salt)
  • 3-(2-Naphthyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-L-threoninamide, cyclic (2->7)-disulfide, acetate (salt)
  • BIM 23014C
  • BIM-23014C
  • L-Threoninamide, 3-(2-naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2-7)-disulfide, acetate (salt)
  • Lanreotide acetate
  • Somatuline Autogel
  • Somatuline depot
  • Somatuline Depot Injection
  • UNII-IEU56G3J9C

Systematic Name

  • L-Threoninamide, 3-(2-naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2->7)-disulfide, acetate (salt)

Registry Numbers

CAS Registry Number

  • 127984-74-1

FDA UNII

  • IEU56G3J9C

Related Registry Number

  • 108736-35-2 (Parent)

System Generated Number

  • 0127984741

Molecular Formulas

Molecular Formula

  • C54-H69-N11-O10-S2.x-C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C54-H69-N11-O10-S2
  • COMPONENT

Structure Descriptors

InChI

1S/2C54H69N11O10S2.5C2H4O2/c2*1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55;5*1-2(3)4/h2*4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74);5*1H3,(H,3,4)/t2*30-,38-,40+,41+,42-,43+,44+,45+,46+;;;;;/m11...../s1

InChIKey

RUGAHXUZHWYHNG-NLGNTGLNSA-N

Smiles

C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccc(cc4)O)NC(=O)[C@@H](Cc5ccc6ccccc6c5)N)O.C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccc(cc4)O)NC(=O)[C@@H](Cc5ccc6ccccc6c5)N)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O