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Substance Name: Octreotide pamoate [USAN]
RN: 135467-16-2
UNII: MWH8YQ1AIO
InChIKey: VSPDNSJFFYUNLJ-WBVRJZKHSA-N

Classification Code

  • Antineoplastic

Molecular Formula

  • C49-H66-N10-O10-S2.x-C23-H16-O6

Molecular Weight

  • 1397.6306
 
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Names and Synonyms

Name of Substance

  • Octreotide pamoate [USAN]

Synonyms

  • D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-L-threoninol cyclic (2-7)-disulfide pamoate (1:1) (salt)
  • D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2-7)-disulfide 4,4'-methylenebis(3-hydroxy-2-naphthoate) (1:1) (salt)
  • L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (2-7)-disulfide (R-(R*,R*))-, 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (1:1) (salt)
  • Octreotide pamoate
  • SMS 201-995 pa
  • SMS pa
  • UNII-MWH8YQ1AIO

Registry Numbers

CAS Registry Number

  • 135467-16-2

FDA UNII

  • MWH8YQ1AIO

System Generated Number

  • 0135467162

Molecular Formulas

Molecular Formula

  • C49-H66-N10-O10-S2.x-C23-H16-O6

Molecular Formula Fragments

  • C23-H16-O6
  • C49-H66-N10-O10-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C48H68N10O10S2.C23H16O6/c1-5-13-27(2)20-33(50)42(62)56-39-25-69-70-26-40(47(67)55-38(24-59)28(3)60)57-48(68)41(29(4)61)58-43(63)35(18-11-12-19-49)52-45(65)37(22-31-23-51-34-17-10-9-16-32(31)34)54-44(64)36(53-46(39)66)21-30-14-7-6-8-15-30;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h5-10,13-17,23,28-29,33,35-41,51,59-61H,1,11-12,18-22,24-26,49-50H2,2-4H3,(H,52,65)(H,53,66)(H,54,64)(H,55,67)(H,56,62)(H,57,68)(H,58,63);1-10,24-25H,11H2,(H,26,27)(H,28,29)/b27-13+;/t28-,29-,33-,35+,36+,37-,38-,39+,40+,41+;/m1./s1

InChIKey

VSPDNSJFFYUNLJ-WBVRJZKHSA-N

Smiles

C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)C\C(=C\C=C)\C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1.OC(=O)c5cc6ccccc6c(Cc7c(O)c(cc8ccccc78)C(=O)O)c5O