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Substance Name: Penicillin G hydrabamine
RN: 3344-16-9
UNII: 667Y1107D3
InChIKey: BIPGVSDEAYGJOG-YQUITFMISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H64-N2.2C16-H18-N2-O4-S

Molecular Weight

  • 1265.77
 
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Names and Synonyms

Name of Substance

  • Penicillin G hydrabamine

Synonyms

  • Compocillin
  • EINECS 222-092-3
  • Hydrabamine penicillin G
  • Penicillin G compd. with N,N'-bis(dehydroabietyl)ethylenediamine (2:1)
  • Penicillin G hydrabamine
  • UNII-667Y1107D3

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S-(2alpha,5alpha,6beta))-, compd.with (1R-(1alpha(1R*,4aS*,10aR*),4abeta,10aalpha))-N,N'-bis((1,2, 3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl)-1,2-ethanediamine (2:1)

Registry Numbers

CAS Registry Number

  • 3344-16-9

FDA UNII

  • 667Y1107D3

System Generated Number

  • 0003344169

Molecular Formulas

Molecular Formula

  • C42-H64-N2.2C16-H18-N2-O4-S

Molecular Formula Fragments

  • C16-H18-N2-O4-S
  • C42-H64-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C42H64N2.2C16H18N2O4S/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42;2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3;2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t37-,38-,39-,40-,41+,42+;2*11-,12+,14-/m011/s1

InChIKey

BIPGVSDEAYGJOG-YQUITFMISA-N

Smiles

CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CNCCNC[C@@]4(CCC[C@]5([C@H]4CCc6c5ccc(c6)C(C)C)C)C)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD oral > 2gm/kg (2000mg/kg)   Antibiotics Annual. Vol. 2, Pg. 133, 1954/1955.
dog LD50 oral > 1254mg/kg (1254mg/kg)   Antibiotics Annual. Vol. 2, Pg. 133, 1954/1955.
mouse LD oral > 4gm/kg (4000mg/kg)   Antibiotics and Chemotherapy Vol. 5, Pg. 315, 1955.
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   Antibiotics Annual. Vol. 2, Pg. 133, 1954/1955.
rabbit LD intramuscular > 1gm/kg (1000mg/kg)   Antibiotics Annual. Vol. 2, Pg. 133, 1954/1955.