Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benethamine penicillin [INN:BAN]
RN: 751-84-8
UNII: O3S7RWT8R5
InChIKey: JAQPGQYDZJZOIN-LQDWTQKMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-N2-O4-S.C15-H17-N

Molecular Weight

  • 545.7005
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Benethamine penicillin
  • Benethamine penicillin [INN:BAN]

Synonyms

  • Benapen
  • Benetacil
  • Benethamine penicillin
  • Benethamine penicillin G
  • Benethamine penicilline
  • Benethamine penicilline [INN-French]
  • Benethamine-penicillin
  • Benethaminum penicillinum
  • Benethaminum penicillinum [INN-Latin]
  • Benetolin
  • Betapen
  • EINECS 212-029-8
  • Penicilina-benetamina
  • Penicilina-benetamina [INN-Spanish]
  • Penicillinbenethaminum
  • UNII-O3S7RWT8R5

Systematic Names

  • 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 N-(phenylmethyl)benzeneethanamine (1:1)
  • Benethamine penicillin
  • Benzylpenicillin salt of N-benzylphenethylamine

Registry Numbers

CAS Registry Number

  • 751-84-8

FDA UNII

  • O3S7RWT8R5

System Generated Number

  • 0000751848

Molecular Formulas

Molecular Formula

  • C16-H18-N2-O4-S.C15-H17-N

Molecular Formula Fragments

  • C15-H17-N
  • C16-H18-N2-O4-S
  • COMPONENT

Structure Descriptors

InChI

1S/C16H18N2O4S.C15H17N/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;1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,16H,11-13H2/t11-,12+,14-;/m1./s1

InChIKey

JAQPGQYDZJZOIN-LQDWTQKMSA-N

Smiles

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C.c1ccc(cc1)CCNCc2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 170mg/kg (170mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Antibiotics and Chemotherapy Vol. 5, Pg. 152, 1955.
mouse LDLo oral > 10gm/kg (10000mg/kg)   Antibiotics and Chemotherapy Vol. 5, Pg. 152, 1955.
mouse LDLo subcutaneous > 7gm/kg (7000mg/kg)   Antibiotics and Chemotherapy Vol. 5, Pg. 152, 1955.
rabbit LD50 intravenous 55mg/kg (55mg/kg)   Antibiotics and Chemotherapy Vol. 5, Pg. 152, 1955.
rat LD50 intravenous 122mg/kg (122mg/kg)   Antibiotics and Chemotherapy Vol. 5, Pg. 152, 1955.
rat LD50 subcutaneous > 6gm/kg (6000mg/kg)   Antibiotics and Chemotherapy Vol. 5, Pg. 152, 1955.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 146.5 deg C   EXP
log P (octanol-water) 2.920 (none)   EST
Atmospheric OH Rate Constant 9.66E-11 cm3/molecule-sec 25 EST

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