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Substance Name: Ampicillin trihydrate
RN: 7177-48-2
UNII: HXQ6A1N7R6
InChIKey: RXDALBZNGVATNY-CWLIKTDRSA-N

Molecular Formula

  • C16-H19-N3-O4-S.3H2-O

Molecular Weight

  • 403.4535
 

Classification Codes

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 2A
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Names and Synonyms

Name of Substance

  • Ampicillin trihydrate

Synonyms

  • (D-(-)-alpha-Aminobenzyl)penicillin trihydrate
  • alpha-Aminobenzylpenicillin trihydrate
  • Amcap
  • Aminobenzylpenicillin trihydrate
  • Amperil
  • Ampicillin 3-wasser
  • Ampicillin trihydrate
  • Ampinova
  • CCRIS 267
  • Cymbi
  • NCI-C56086
  • Pentrexyl
  • Polycillin
  • Trafarbiot
  • UNII-HXQ6A1N7R6

Systematic Names

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2R)-aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, trihydrate, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, trihydrate, (2S-(2alpha,5alpha,6beta(S*)))-
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-, trihydrate, D- (-)-
  • Ampicillin trihydrate

Superlist Name

  • Ampicillin trihydrate

Registry Numbers

CAS Registry Number

  • 7177-48-2

FDA UNII

  • HXQ6A1N7R6

Related Registry Number

  • 69-53-4 (Parent)

System Generated Number

  • 0007177482

Molecular Formulas

Molecular Formula

  • C16-H19-N3-O4-S.3H2-O

Molecular Formula Fragments

  • C16-H19-N3-O4-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H19N3O4S.3H2O/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;;;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);3*1H2/t9-,10-,11+,14-;;;/m1.../s1

InChIKey

RXDALBZNGVATNY-CWLIKTDRSA-N

Smiles

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C.O.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 15200mg/kg (15200mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: TREMOR

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Antibiotiki. Vol. 20, Pg. 653, 1975.
rat LD50 oral 10gm/kg (10000mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: TREMOR

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Antibiotiki. Vol. 20, Pg. 653, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 198 deg C   EXP
log P (octanol-water) 1.450 (none)   EST
Water Solubility 7560 mg/L 21 EXP
Atmospheric OH Rate Constant 1.03E-10 cm3/molecule-sec 25 EST

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