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Cefotiam Dihydrochloride

CAT: 0572-TRC-C243005-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C243005-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66309-69-1
Synonyms
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, hydrochloride (1:2), (6R,7R)-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, dihydrochloride, (6R,7R)- (9CI); 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, dihydrochloride, (6R-trans)-; Abbott 48999; Cefotiam dihydrochloride; Cefotiam hydrochloride; Ceradon; HAR; HNP; Halospor; KMS; PAS; Pansporin; Pansporine; SEP; SFC; SFP; Spizef; Sporidyn
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
Cl.Cl.CN(C)CCn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4csc(N)n4)C3=O)C(=O)O
Molecular Formula
C18 H23 N9 O4 S3 . 2[HCl]
Molecular Weight
598.55
InChI
InChI=1S/C18H23N9O4S3.2ClH/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10;;/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31);2*1H/t12-,15-;;/m1../s1
Additionnal Information
IUPAC name: (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-carboxylic acid;dihydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Cefotiam Hydrochloride

Cefotiam dihydrochloride is the dihydrochloride salt of cefotiam. It has a role as an antibacterial drug. It contains a cefotiam.

CAS Number66309-69-1
PubChem CID47896
IUPAC Name(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-carboxylic acid;dihydrochloride
Molecular FormulaC18H25Cl2N9O4S3
Molecular Weight598.6
Topological Polar Surface Area251
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity847
SMILES
CN(C)CCN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O.Cl.Cl
InChI
InChI=1S/C18H23N9O4S3.2ClH/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10;;/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31);2*1H/t12-,15-;;/m1../s1
InChIKey
BWRRTAXZCKVRON-DGPOFWGLSA-N
Chemical Structure
2D Structure
2D structure of Cefotiam Hydrochloride
CAS: 66309-69-1
CID: 47896
Formula: C18H25Cl2N9O4S3
MW: 598.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight598.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass597.0568692
Monoisotopic Mass597.0568692
Topological Polar Surface Area251 Ų
Heavy Atom Count36
Formal Charge0
Complexity847
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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