Cas no 79239-19-3 (Cefazolin delta-2-methyl ester)
79239-19-3 structure
Product Name:Cefazolin delta-2-methyl ester
CAS No:79239-19-3
MF:C16H18N8O3S3
MW:466.560917377472
CID:564275
Update Time:2023-08-02
Cefazolin delta-2-methyl ester Chemical and Physical Properties
Names and Identifiers
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- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-,methyl ester, (6R-trans)- (9CI)
- cefazolin delta-2-methyl ester
- Methyl 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-((1H-tetrazol-1-ylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-one-2-carboxylate (6R-trans)-
- 5-Thia-1-azabicyclo(4.2.0)oct-2-one-2-carboxylic acid, 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-((1H-tetrazol-1-ylacetyl)amino)-, methyl ester, (6R-trans)-
- Cefazolin delta-2-methyl ester
-
- Inchi： 1S/C16H18N8O3S3/c1-8-12(18-11(25)4-23-7-17-21-22-23)14-24(8)13(15(26)27-3)10(5-28-14)6-29-16-20-19-9(2)30-16/h7,12,14H,1,4-6H2,2-3H3,(H,18,25)/t12-,14-/m1/s1
- InChI Key： AODDZVXSRQMZGM-TZMCWYRMSA-N
- SMILES： S1CC(CSC2=NN=C(C)S2)=C(C(=O)OC)N2C(=C)[C@H]([C@@H]12)NC(CN1C=NN=N1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 30
- Rotatable Bond Count: 8
- Complexity: 753
- Topological Polar Surface Area: 207
Cefazolin delta-2-methyl ester Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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