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Substance Name: Carbobenzoxyproline
RN: 1148-11-4
UNII: H2BS8M5FPP
InChIKey: JXGVXCZADZNAMJ-NSHDSACASA-N

Note

  • An inhibitor of prolidase.

Classification Code

  • Reproductive Effect

Molecular Formula

  • C13-H15-N-O4

Molecular Weight

  • 249.264
 
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Names and Synonyms

Name of Substance

  • Carbobenzoxyproline

Synonyms

  • 1-(Benzyloxycarbonyl)proline
  • Benzyloxycarbonyl-L-proline
  • Benzyloxycarbonylproline
  • Carbobenzoxy-L-proline
  • Carbobenzoxy-S-proline
  • Carbobenzyloxy-L-proline
  • EINECS 214-557-4
  • L-1,2-Pyrrolidinedicarboxylic acid 1-benzyl ester
  • N-Benzyloxycarbonylproline
  • N-Carbobenzoxy-L-proline
  • UNII-H2BS8M5FPP

Systematic Names

  • 1,2-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, (S)- (9CI)
  • 1,2-Pyrrolidinedicarboxylic acid, 1-benzyl ester, L-
  • N-Benzyloxycarbonyl-L-proline

Registry Numbers

CAS Registry Number

  • 1148-11-4

FDA UNII

  • H2BS8M5FPP

System Generated Number

  • 0001148114

Structure Descriptors

InChI

1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m0/s1

InChIKey

JXGVXCZADZNAMJ-NSHDSACASA-N

Smiles

c1ccc(COC(=O)N2CCC[C@H]2C(=O)O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravaginal > 1gm/kg (1000mg/kg)   Journal of Pharmaceutical Sciences. Vol. 68, Pg. 696, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 77 deg C   EXP
log P (octanol-water) 2.120 (none)   EST
Atmospheric OH Rate Constant 2.85E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.