CAS Registry Number®
551-16-6
CAS Name
6-Aminopenicillanic acid
Molecular Formula
C8H12N2O3S
Molecular Mass
216.26
Compound Properties
-
Melting Point (1)
208-209 °C (decomp)
Source(s)
- (1) Batchelor, F. R.; Nature (London, United Kingdom), (1959), 183, 257-8, CAplus
Other Names and Identifiers
InChI
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
InChIKey=NGHVIOIJCVXTGV-ALEPSDHESA-N
SMILES
C(O)(=O)[C@@H]1N2[C@@]([C@H](N)C2=O)(SC1(C)C)[H]
Canonical SMILES
O=C(O)C1N2C(=O)C(N)C2SC1(C)C
Other Names for this Substance
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6β)]-
- (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 6-APA
- 6-Aminopenicillanic acid
- 6-APS
- 6β-Aminopenicillanic acid
- NSC 50071
- (+)-6-Aminopenicillanic acid
Deleted or Replaced CAS Registry Numbers
1782955-12-7
