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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:31374 - cefotiam dihydrochloride
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ChEBI Name
cefotiam dihydrochloride
ChEBI ID
CHEBI:31374
Definition
The dihydrochloride salt of cefotiam.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
eMolecules:3714906
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Formula
C18H25Cl2N9O4S3
Net Charge
0
Average Mass
598.55000
Monoisotopic Mass
597.05687
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
SMILES
Cl.Cl.[H][C@]12SCC(CSc3nnnn3CCN(C)C)=C(N1C(=O)[C@@]2([H])NC(=O)Cc1csc(N)n1)C(O)=O
Roles Classification
Biological Role
(s):
antibacterial drug
A drug used to treat or prevent bacterial infections.
Application
(s):
antibacterial drug
A drug used to treat or prevent bacterial infections.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cefotiam dihydrochloride (
CHEBI:31374
)
has part
cefotiam (
CHEBI:355510
)
cefotiam dihydrochloride (
CHEBI:31374
)
has role
antibacterial drug (
CHEBI:36047
)
cefotiam dihydrochloride (
CHEBI:31374
)
is a
hydrochloride (
CHEBI:36807
)
IUPAC Names
(6
R
,7
R
)-
7-
{[(2-
amino-
1,3-
thiazol-
4-
yl)acetyl]amino}-
3-
[({1-
[2-
(dimethylamino)ethyl]-
1
H
-
tetrazol-
5-
yl}sulfanyl)methyl]-
8-
oxo-
5-
thia-
1-
azabicyclo[4.2.0]oct-
2-
ene-
2-
carboxylic acid dihydrochloride
7β-
(2-
amino-
1,3-
thiazol-
4-
yl)acetamido-
3-
[({1-
[2-
(dimethylamino)ethyl]-
1
H
-
tetrazol-
5-
yl}sulfanyl)methyl]-
3,4-
didehydrocepham-
4-
carboxylic acid dihydrochloride
Synonyms
Sources
7(
R
)-
(2-
(2-
amino-
4-
thiazolyl)acetamido)-
3-
(((1-
(2-
(dimethylamino)ethyl)-
1
H
-
tetrazol-
5-
yl)thio)methyl)-
3-
cephem-
4-
carboxylic acid dihydrochloride
ChemIDplus
cefotiam hydrochloride
KEGG DRUG
Manual Xrefs
Databases
D01819
KEGG DRUG
DB00229
DrugBank
DE2738711
Patent
US4146710
Patent
View more database links
Registry Number
Type
Source
66309-69-1
CAS Registry Number
ChemIDplus
Last Modified
07 May 2010