Molecule ID: 175647

IUPAC Name: 1-cyclohexyloxycarbonyloxyethyl (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;dihydrochloride

Description: The molecule is the dihydrochloride salt of cefotiam 1-(cyclohexyloxycarbonyloxy)ethyl ester. It is used as a prodrug for cefotiam. It has a role as an antibacterial drug and a prodrug. It contains a cefotiam hexetil ester. It derives from a cefotiam.

SMILES: CC(OC(=O)OC1CCCCC1)OC(=O)C1=C(CSc2nnnn2CCN(C)C)CS[C@@H]2[C@H](N=C(O)Cc3csc(=N)[nH]3)C(=O)N12.Cl.Cl

SELFIES: [C][C][Branch1][#C][O][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][P][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][N][Branch1][C][C][C][C][S][C@@H1][C@H1][Branch1][P][N][=C][Branch1][C][O][C][C][=C][S][C][=Branch1][C][=N][NH1][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][#C][Ring1][#C].[Cl].[Cl]

InChI: InChI=1S/C27H37N9O7S3.2ClH/c1-15(42-27(40)43-18-7-5-4-6-8-18)41-24(39)21-16(13-46-26-31-32-33-35(26)10-9-34(2)3)12-44-23-20(22(38)36(21)23)30-19(37)11-17-14-45-25(28)29-17;;/h14-15,18,20,23H,4-13H2,1-3H3,(H2,28,29)(H,30,37);2*1H/t15?,20-,23-;;/m1../s1

Molecular Properties:
- Polar Surface Area: 276.0 Ų
- LogP: nan