Mecillinam
Properties
- Molecular formula
- C15H23N3O3S
- Molar mass
- 325.43 g/mol
- Exact mass
- 325.1460 Da
- Melting point
- 156 °C (decomposes)
- logP
- 1.41Crippen estimate
- Polar surface area
- 73.2 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 3
- Stereocentres
- R, R, Sin SMILES atom order
Identifiers
CAS number
32887-01-7SMILES
CC1(C)S[C@@H]2[C@H](N=CN3CCCCCC3)C(=O)N2[C@H]1C(=O)OInChIKey
BWWVAEOLVKTZFQ-NTZNESFSSA-NInChI
InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/t10-,11+,13-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-, (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-, [2S-(2α,5α,6β)]-
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-, (+)-
- (2S,5R,6R)-6-[[(Hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 6β-[(Hexahydro-1H-azepin-1-yl)methyleneamino]penicillanic acid
- FL 1060
- 6-[[(Hexahydro-1H-azepin-1-yl)methylene]amino]penicillanic acid
- Penicillin hx
- Hexacillin
- Amdinocillin
- Hexapen
- Coactin
Work with Mecillinam
Similar compounds
6-Apa551-16-652 % similar
Penicillin G61-33-652 % similar
Carbenicillin4697-36-349 % similar
Ampicillin69-53-448 % similar
Amoxicillin26787-78-047 % similar
Ticarcillin34787-01-447 % similar
Benzathine penicillin1538-09-646 % similar
Ampicillin trihydrate7177-48-246 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds