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Substance Name: 6-Aminopenicillanic acid
RN: 551-16-6
UNII: QR0C4R7XVN
InChIKey: NGHVIOIJCVXTGV-ALEPSDHESA-N

Classification Codes

  • Natural Product
  • Tumor Data

Molecular Formula

  • C8-H12-N2-O3-S

Molecular Weight

  • 216.2598
 
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Names and Synonyms

Name of Substance

  • 6-Aminopenicillanic acid
  • Aminopenicillanic acid

Synonyms

  • (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • 6-Aminopenicillanic acid
  • 6-Apa
  • 6-Aps
  • AI3-52557
  • EC 208-993-4
  • EINECS 208-993-4
  • NSC 50071
  • Penicin
  • Penin
  • Phenacyl 6-aminopenicillinate
  • UNII-QR0C4R7XVN

Systematic Names

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • 6-Aminopenicillamine acid
  • 6-Aminopenicillanic acid

Registry Numbers

CAS Registry Number

  • 551-16-6

FDA UNII

  • QR0C4R7XVN

Other Registry Number

  • 1782955-12-7

Related Registry Number

  • 1203-85-6 (hydrochloride salt)

System Generated Number

  • 0000551166

Structure Descriptors

InChI

1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1

InChIKey

NGHVIOIJCVXTGV-ALEPSDHESA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   National Technical Information Service. Vol. AD691-490,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.600 (none)   EST
Atmospheric OH Rate Constant 8.23E-11 cm3/molecule-sec 25 EST

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