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Substance Name: Bentiromide [USAN:INN:BAN:JAN]
RN: 37106-97-1
UNII: 239IF5W61J
InChIKey: SPPTWHFVYKCNNK-FQEVSTJZSA-N

Note

  • Chymotrypsin labile peptide used diagnostically as an index of exocrine pancreas function.

Molecular Formula

  • C23-H20-N2-O5

Molecular Weight

  • 404.42
 

Classification Codes

  • Diagnostic Aid (Pancreas Function Determination)
  • Drug / Therapeutic Agent
  • Indicators and Reagents
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Names and Synonyms

Name of Substance

  • Bentiromide
  • Bentiromide [USAN:INN:BAN:JAN]

Synonyms

  • (S)-4-((2-(Benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)benzoic acid
  • (S)-p-(alpha-Benzamido-p-hydroxyhydrocinnamamido)benzoic acid
  • 4-((2-(Benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)benzoic acid
  • Bentiromide
  • Bentiromido
  • Bentiromido [INN-Spanish]
  • Bentiromidum
  • Bentiromidum [INN-Latin]
  • Benzoic acid, 4-((2-(benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)-, (S)-
  • Benzoyltyrosyl-p-aminobenzoic acid
  • BRN 2910938
  • Btpaba
  • BTPABA, PFT
  • Chymex
  • E 2663
  • E-2663
  • EINECS 253-349-8
  • N-Benzoyl-L-tyrosyl-p-aminobenzoic acid
  • p-((N-Benzoyl-L-tyrosin)amido)benzoic acid
  • PFT
  • Ro 11-7891
  • UNII-239IF5W61J

Systematic Names

  • Bentiromide
  • Benzoic acid, 4-((2-(benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)-, (S)-

Registry Numbers

CAS Registry Number

  • 37106-97-1

FDA UNII

  • 239IF5W61J

System Generated Number

  • 0037106971

Structure Descriptors

InChI

1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)/t20-/m0/s1

InChIKey

SPPTWHFVYKCNNK-FQEVSTJZSA-N

Smiles

OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c3ccccc3)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular > 1gm/kg (1000mg/kg)   Drugs in Japan Vol. 6, Pg. 778, 1982.
mouse LD50 intraperitoneal 1650mg/kg (1650mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 181, 1980.
mouse LD50 intravenous 1020mg/kg (1020mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 181, 1980.
mouse LD50 oral > 6gm/kg (6000mg/kg)   Drugs in Japan Vol. 6, Pg. 778, 1982.
mouse LD50 subcutaneous > 4gm/kg (4000mg/kg)   Drugs in Japan Vol. 6, Pg. 778, 1982.
rat LD50 intramuscular > 1gm/kg (1000mg/kg)   Drugs in Japan Vol. 6, Pg. 778, 1982.
rat LD50 intraperitoneal 2gm/kg (2000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 181, 1980.
rat LD50 intravenous 485mg/kg (485mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 181, 1980.
rat LD50 oral > 6gm/kg (6000mg/kg)   Drugs in Japan Vol. 6, Pg. 778, 1982.
rat LD50 subcutaneous > 4gm/kg (4000mg/kg)   Drugs in Japan Vol. 6, Pg. 778, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 241 deg C   EXP
log P (octanol-water) 3.000 (none)   EST
Atmospheric OH Rate Constant 6.41E-11 cm3/molecule-sec 25 EST

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