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Substance Name: Rimegepant sulfate [USAN]
RN: 1374024-48-2
UNII: 1383NM3Q0H
InChIKey: SOGUOEZRYKUOHR-CQZKMDJHSA-N

Classification Code

  • Treatment of Migraine

Molecular Formula

  • 2C28-H28-F2-N6-O3.H2-O4-S.3H2-O

Molecular Weight

  • 1221.2506
 
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Names and Synonyms

Name of Substance

  • Rimegepant sulfate [USAN]

Synonyms

  • Di((5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta(b)pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxylate), monosulfate, trihydrate
  • Rimegepant sulfate
  • UNII-1383NM3Q0H

Systematic Name

  • 1-Piperidinecarboxylic acid, 4-(2,3-dihydro-2-oxo-1H-imidazo(4,5-b)pyridin-1-yl)-, (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta(b)pyridin-9-yl ester, sulfate, hydrate (2:1:3)

Registry Numbers

CAS Registry Number

  • 1374024-48-2

FDA UNII

  • 1383NM3Q0H

System Generated Number

  • 1374024482

Structure Descriptors

InChI

1S/2C28H28F2N6O3.H2O4S.3H2O/c2*29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37;1-5(2,3)4;;;/h2*1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37);(H2,1,2,3,4);3*1H2/t2*18-,22+,24-;;;;/m00..../s1

InChIKey

SOGUOEZRYKUOHR-CQZKMDJHSA-N

Smiles

O.O.O.N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)N3C(=O)Nc4ncccc34)c5ncccc15)c6cccc(F)c6F.N[C@H]7[C@@H](CC[C@@H](OC(=O)N8CCC(CC8)N9C(=O)Nc%10ncccc9%10)c%11ncccc7%11)c%12cccc(F)c%12F.OS(=O)(=O)O