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Substance Name: Carbamic acid, (2-(2-formyl-1-pyrrolidinyl)-1-methyl-2-oxoethyl)-, phenylmethyl ester, (S-(R*,R*))-
RN: 91650-02-1
InChIKey: SQXBJJUQJZTQQJ-OCCSQVGLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-N2-O4

Molecular Weight

  • 304.344
 
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Names and Synonyms

Synonyms

  • BRN 5608043
  • N-Benzyloxycarbonyl-alanyl-prolinal

Systematic Name

  • Carbamic acid, (2-(2-formyl-1-pyrrolidinyl)-1-methyl-2-oxoethyl)-, phenylmethyl ester, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 91650-02-1

System Generated Number

  • 0091650021

Structure Descriptors

InChI

1S/C16H20N2O4/c1-12(15(20)18-9-5-8-14(18)10-19)17-16(21)22-11-13-6-3-2-4-7-13/h2-4,6-7,10,12,14H,5,8-9,11H2,1H3,(H,17,21)/t12-,14+/m1/s1

InChIKey

SQXBJJUQJZTQQJ-OCCSQVGLSA-N

Smiles

C[C@@H](NC(=O)OCc1ccccc1)C(=O)N2CCC[C@H]2C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 954mg/kg (954mg/kg)   European Patent Application. Vol. #154353,