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Substance Name: Afamelanotide acetate [USAN]
RN: 1566590-77-9
UNII: 1XCC161YKC
InChIKey: VHLLBJXKNRAYGM-BHHWPIKXSA-N

Classification Code

  • Prevention of Phototoxicity in Adults with Erythropoietic Protoporphyria (EPP)

Molecular Formula

  • C78-H111-N21-O19.(C2-H4-O2)n

Molecular Weight

  • 1827.0011
 
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Names and Synonyms

Name of Substance

  • Afamelanotide acetate [USAN]

Synonyms

  • acetyl(4-(2S)-2-aminohexanoic acid,7-D-phenylalanine)human melanotropin alpha (alpha-MSH) acetate salt (1:?)
  • Afamelanotide acetate
  • CUV1647
  • UNII-1XCC161YKC

Systematic Name

  • alpha-Melanotropin (swine), 4-L-norleucine-7-D-phenylalanine-, acetate (1:?)

Registry Numbers

CAS Registry Number

  • 1566590-77-9

FDA UNII

  • 1XCC161YKC

System Generated Number

  • 1566590779

Structure Descriptors

InChI

1S/C78H111N21O19.3C2H4O2/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107;3*1-2(3)4/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84);3*1H3,(H,3,4)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-;;;/m0.../s1

InChIKey

VHLLBJXKNRAYGM-BHHWPIKXSA-N

Smiles

CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](C(C)C)C(=O)N.CC(=O)O.CC(=O)O.CC(=O)O