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Substance Name: Penicillin G benzhydrylamine
RN: 1538-11-0
UNII: WH3RD005B0
InChIKey: QCFJTUGHFMTKSB-LQDWTQKMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C16-H18-N2-O4-S.C13-H13-N
  • C16-H18-N2-O4-S.C13-H13-N.Cl-H

Molecular Weight

  • 517.6469
 
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Names and Synonyms

Name of Substance

  • Penicillin G benzhydrylamine

Synonyms

  • Benzhydrylamine penicillin hydrochloride
  • Chlorhydrate du penicillate de benzhydrylamine
  • Chlorhydrate du penicillate de benzhydrylamine [French]
  • EINECS 216-261-0
  • Orencil hydrochloride
  • UNII-WH3RD005B0

Systematic Names

  • (2S-(2alpha,5alpha,6beta))-3,3-Dimethyl-7-oxo-6-((phenylacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, compound with alpha-phenylbenzylamine
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S-(2-alpha,5-alpha,6-beta))-, compd. with alpha-phenylbenzenemethanamine, hydrochloride (1:1:1)

Registry Numbers

CAS Registry Number

  • 1538-11-0

FDA UNII

  • WH3RD005B0

System Generated Number

  • 0001538110

Molecular Formulas

Molecular Formulas

  • C16-H18-N2-O4-S.C13-H13-N
  • C16-H18-N2-O4-S.C13-H13-N.Cl-H

Molecular Formula Fragments

  • C13-H13-N
  • C16-H18-N2-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H18N2O4S.C13H13N/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,13H,14H2/t11-,12+,14-;/m1./s1

InChIKey

QCFJTUGHFMTKSB-LQDWTQKMSA-N

Smiles

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C.c1ccc(cc1)C(c2ccccc2)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Annales Pharmaceutiques Francaises. Vol. 12, Pg. 565, 1954.
rat LD50 intraperitoneal 200mg/kg (200mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: COMA
Annales Pharmaceutiques Francaises. Vol. 12, Pg. 565, 1954.