| CAS Number | 79349-53-4 |
| Catalog Number | AG00G27R(AGN-PC-0UEEFP) |
| Chemical Name | 7-ACMA |
| IUPAC Name | benzhydryl (6R,7R)-7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C21H19ClN2O3S.ClH/c22-11-15-12-28-20-16(23)19(25)24(20)17(15)21(26)27-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,16,18,20H,11-12,23H2;1H/t16-,20-;/m1./s1 |
| InChI Key | HDYOATPRFNMLSX-KYSFMIDTSA-N |
| MDL Number | MFCD00191256 |
| Molecular Formula | C21H20Cl2N2O3S |
| Molecular Weight | 451.3661 |
| NSC Number | 736204 |
| SMILES | Cl.N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1)CCl |
| Synonyms | 7-ACMA,
79349-53-4,
7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid diphenylmethyl ester hydrochloride,
7-ACMA hydrochloride,
SCHEMBL5147558,
HDYOATPRFNMLSX-KYSFMIDTSA-N,
NSC736204,
AKOS026673936,
NSC-736204,
349A534,
benzhydryl 7beta-amino-3-chloromethyl-3-cephem-4-carboxylate hydrochloride,
diphenylmethyl 7 beta-amino-3-chloromethyl-ceph-3-em-4-carboxylate hydrochloride,
(6R,7R)-7-Amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Diphenylmethyl Ester Hydrochloride,
(6R,7R)-benzhydryl 7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, hydrochloride,
(6R-trans)-7-Amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Diphenylmethyl Ester Monohydrochloride,
diphenylmethyl (6R,7R)-7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride,
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| Complexity | 626 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 450.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 451.362g/mol |
| Monoisotopic Mass | 450.057g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 97.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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