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Substance Name: Setmelanotide [USAN:INN]
RN: 920014-72-8
UNII: N7T15V1FUY
InChIKey: HDHDTKMUACZDAA-PHNIDTBTSA-N

Note

  • An anti-obesity agent.

Classification Codes

  • Anti-Obesity Agents
  • Treatment of Obesity

Molecular Formula

  • C49-H68-N18-O9-S2

Molecular Weight

  • 1117.3252
 
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Names and Synonyms

Name of Substance

  • Setmelanotide [USAN:INN]

Synonyms

  • BIM-22493
  • N2-acetyl-L-arginyl-L-cysteinyl-D-alanyl-L-histidyl-D-phenylalanyl-L-arginyl-L-tryptophyl-L-cysteinamide, cyclic (2-8)-disulfide
  • RM-493
  • Setmelanotide
  • UNII-N7T15V1FUY

Systematic Name

  • L-Cysteinamide, N2-acetyl-L-arginyl-L-cysteinyl-D-alanyl-L-histidyl-D-phenylalanyl-L-arginyl-L-tryptophyl-, cyclic (2->8)-disulfide

Registry Numbers

CAS Registry Number

  • 920014-72-8

FDA UNII

  • N7T15V1FUY

System Generated Number

  • 0920014728

Structure Descriptors

InChI

1S/C49H68N18O9S2/c1-26-41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(19-29-21-58-32-13-7-6-12-31(29)32)45(74)66-38(40(50)69)23-77-78-24-39(47(76)60-26)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52/h3-7,10-13,21-22,25-26,33-39,58H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1

InChIKey

HDHDTKMUACZDAA-PHNIDTBTSA-N

Smiles

C[C@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](Cc5cnc[nH]5)NC1=O)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C