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Substance Name: Rapastinel acetate
RN: 491872-39-0
UNII: 90B8PDG67N
InChIKey: MNEQLJKNUQMKNP-GDLIIDCZSA-N

Molecular Formula

  • C18-H31-N5-O6.(C2-H4-O2)mod

Molecular Weight

  • 473.5235
 
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Names and Synonyms

Name of Substance

  • Rapastinel acetate

Synonyms

  • L-Threoninamide, L-threonyl-L-prolyl-L-prolyl-, acetate (1:1)
  • L-Threoninamide, L-threonyl-L-prolyl-L-prolyl-, monoacetate
  • Rapastinel acetate
  • Thr-Pro-Pro-Thr-amide acetate
  • UNII-90B8PDG67N

Registry Numbers

CAS Registry Number

  • 491872-39-0

FDA UNII

  • 90B8PDG67N

System Generated Number

  • 0491872390

Structure Descriptors

InChI

1S/C18H31N5O6.C2H4O2/c1-9(24)13(19)18(29)23-8-4-6-12(23)17(28)22-7-3-5-11(22)16(27)21-14(10(2)25)15(20)26;1-2(3)4/h9-14,24-25H,3-8,19H2,1-2H3,(H2,20,26)(H,21,27);1H3,(H,3,4)/t9-,10-,11+,12+,13+,14+;/m1./s1

InChIKey

MNEQLJKNUQMKNP-GDLIIDCZSA-N

Smiles

C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N.CC(=O)O