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Cefotiam Hexetil Hydrochloride

CAT: 1568-C11206-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C11206-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
95789-30-3
SKU
C11206-5mg
Target
Bacterial
Applications
Microbiology
Smiles
CC (OC (=O) C1=C (CSC2N1C (=O) C2NC (=O) CC3=CSC (=N3) N) CSC4=NN=NN4CCN (C) C) OC (=O) OC5CCCCC5.Cl.Cl
Molecular Formula
C27H39Cl2N9O7S3
Additionnal Information
Cefotiam Hexetil Hydrochloride is the hydrochloride salt of cefotiam hexetil. Cefotiam is a semi-synthetic, beta-lactam cephalosporin antibiotic with antibacterial activity.
Storage Conditions
3 years -20°C powder

Chemical Information

Cefotiam Hexetil Hydrochloride

Cefotiam hexetil dihydrochloride 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 is functionally related to a cefotiam.

CAS Number95789-30-3
PubChem CID175647
IUPAC Name1-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
Molecular FormulaC27H39Cl2N9O7S3
Molecular Weight768.8
Topological Polar Surface Area276
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count16
Heavy Atom Count48
Formal Charge0
Complexity1160
SMILES
CC(OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CSC(=N3)N)CSC4=NN=NN4CCN(C)C)OC(=O)OC5CCCCC5.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
InChIKey
FFSANQNELHESQJ-LWBICVDYSA-N
Chemical Structure
2D Structure
2D structure of Cefotiam Hexetil Hydrochloride
CAS: 95789-30-3
CID: 175647
Formula: C27H39Cl2N9O7S3
MW: 768.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight768.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count16
Exact Mass767.1511635
Monoisotopic Mass767.1511635
Topological Polar Surface Area276 Ų
Heavy Atom Count48
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19168717-01Cefotiam Hexetil Hydrochloride
HY-A0110A-01Cefotiam hexetil (hydrochloride)
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