Bacmecillinam
CAS Registry Number®
50846-45-2
No image available.
CAS Name
BacmecillinamMolecular Formula
C20H31N3O6SMolecular Mass
441.54Cite this Page
Bacmecillinam. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=50846-45-2 (retrieved ) (CAS RN: 50846-45-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H31N3O6S/c1-5-27-19(26)29-13(2)28-18(25)15-20(3,4)30-17-14(16(24)23(15)17)21-12-22-10-8-6-7-9-11-22/h12-15,17H,5-11H2,1-4H3/t13?,14-,15+,17-/m1/s1
InChIKey
InChIKey=XHKFBADIZIDYBU-UCMJJCQDSA-N
SMILES
C(OC(OC(OCC)=O)C)(=O)[C@@H]1N2[C@@]([C@H](N=CN3CCCCCC3)C2=O)(SC1(C)C)[H]
Canonical SMILES
O=C(OCC)OC(OC(=O)C1N2C(=O)C(N=CN3CCCCCC3)C2SC1(C)C)C
Other Names for this Substance
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-, 1-[(ethoxycarbonyl)oxy]ethyl ester, (2S,5R,6R)-
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-, 1-[(ethoxycarbonyl)oxy]ethyl ester, [2S-(2α,5α,6β)]-
- Bacmecillinam
- KW 1100
