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Substance Name: Hetacillin [USAN:USP:INN:BAN]
RN: 3511-16-8
UNII: TN4JSC48CV
InChIKey: DXVUYOAEDJXBPY-NFFDBFGFSA-N

Classification Code

  • Antibacterial

Molecular Formula

  • C19-H23-N3-O4-S

Molecular Weight

  • 389.4737
 
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Names and Synonyms

Name of Substance

  • Hetacillin
  • Hetacillin [USAN:USP:INN:BAN]

Synonyms

  • (2S,%R,6R)-6-(2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-
  • 6-(2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 6-(2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)penicillansaeure
  • BL-P 804
  • BRL 804
  • BRL-804
  • EINECS 222-512-5
  • Etacillina
  • Etacillina [DCIT]
  • Hetacilina
  • Hetacilina [INN-Spanish]
  • Hetacillin
  • Hetacilline
  • Hetacilline [INN-French]
  • Hetacillinum
  • Hetacillinum [INN-Latin]
  • N,N'-Isopropylidene-A-amino-benzyl penicillin
  • Phenazacillin
  • UNII-TN4JSC48CV
  • Versapen

Systematic Names

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-
  • Hetacillin

Registry Numbers

CAS Registry Number

  • 3511-16-8

FDA UNII

  • TN4JSC48CV

System Generated Number

  • 0003511168

Structure Descriptors

InChI

1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1

InChIKey

DXVUYOAEDJXBPY-NFFDBFGFSA-N

Smiles

N1([C@@H]2[C@@H]3N([C@@H](C(O)=O)C(S3)(C)C)C2=O)C([C@@H](c2ccccc2)NC1(C)C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 190 deg C   EXP
log P (octanol-water) 2.350 (none)   EST
Atmospheric OH Rate Constant 1.50E-10 cm3/molecule-sec 25 EST

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