Almecillin
CAS Registry Number®
87-09-2
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CAS Name
AlmecillinMolecular Formula
C13H18N2O4S2Molecular Mass
330.42Cite this Page
Almecillin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=87-09-2 (retrieved ) (CAS RN: 87-09-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C13H18N2O4S2/c1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15/h4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19)/t8-,9+,11-/m1/s1
InChIKey
InChIKey=QULKGELYPOJSLP-WCABBAIRSA-N
SMILES
C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(CSCC=C)=O)C2=O)(SC1(C)C)[H]
Canonical SMILES
O=C(O)C1N2C(=O)C(NC(=O)CSCC=C)C2SC1(C)C
Other Names for this Substance
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[2-(2-propenylthio)acetyl]amino]-, (2S,5R,6R)-
- Penicillin O
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[(2-propenylthio)acetyl]amino]-, [2S-(2α,5α,6β)]-
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[2-(allylthio)acetamido]-3,3-dimethyl-7-oxo-
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[(2-propenylthio)acetyl]amino]-, (2S,5R,6R)-
Deleted or Replaced CAS Registry Numbers
95866-81-2, 856653-53-7
