7-Mac
Properties
- Molecular formula
- C24H24N6O4S2
- Molar mass
- 524.61 g/mol
- Exact mass
- 524.1300 Da
- logP
- 2.11Crippen estimate
- Polar surface area
- 125.5 Ų
- H-bond donors / acceptors
- 1 / 10
- Rotatable bonds
- 8
- Stereocentres
- S, Rin SMILES atom order
Hazards
Danger
- H317 May cause an allergic skin reaction100% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, P501
Identifiers
CAS number
56610-72-1SMILES
CO[C@@]1(N)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@@H]21InChIKey
QGXKMJVEULWQSB-VWNXMTODSA-NInChI
InChI=1S/C24H24N6O4S2/c1-29-23(26-27-28-29)36-14-17-13-35-22-24(25,33-2)21(32)30(22)18(17)20(31)34-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19,22H,13-14,25H2,1-2H3/t22-,24+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Diphenylmethyl 7β-amino-7α-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-3-cephem-4-carboxylate
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, diphenylmethyl ester, (6R,7S)-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, diphenylmethyl ester, (6R-cis)-
Work with 7-Mac
Similar compounds
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Cefotetan disodium74356-00-644 % similar
Cefamandole34444-01-443 % similar
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Tanimoto similarity of circular fingerprints over the whole catalogue.