Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| September 30th, 2005 |
30 |
No
|
Other Names:
(6R,7S)-7-(2-((Cyanomethyl)thio)acetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
(6R,7S)-7-(2-((Cyanomethyl)thio)acetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thiomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, sodium salt
(6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Cefmetazole
(6R,7S)-7-({[(cyanomethyl)thio]acetyl}amino)-7-(methyloxy)-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((((cyanomethyl)thio)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-cis)-
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((((cyanomethyl)thio)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, monosodium salt, (6R-cis)-; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((((cyanomethyl)
56796-20-4
56796-39-5 (mono-hydrochloride salt)
56796-39-5; C08104; Cefmetazole sodium
56796-39-5; Cefmetazole sodium salt; Prestwick_21
56796-39-5; CMZ; Cefmetazole sodium (JP16/USP); D00911; Zefazone (TN)
6beta-{[(cyanomethyl)sulfanyl]acetamido}-6alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid
AC-13154
AC1L26WS
BPBio1_000945
BRN 0634647
BSPBio_000859
C08103
C15H17N7O5S3
cef-
Cefmetazole
Cefmetazole (INN
Cefmetazole (sodium)
Cefmetazole (USAN
Cefmetazole (USP/INN)
Cefmetazole Monosodium Salt
Cefmetazole Sodium
Cefmetazole sodium salt
Cefmetazole [USAN:INN]
cefmetazole(1-)
cefmetazole; cefmetazolo; cefmetazolum
Cefmetazolo
Cefmetazolo [INN-Spanish]
Cefmetazolo [INN-Spanish];Cefmetazolum [INN-Latin]
Cefmetazolum
Cefmetazolum [INN-Latin]
CHEBI:3489
CID42008
CMZ
CS 1170
CS-1170
D00910
DAP001179
DB00274
EINECS 260-384-2
FDA
I06-1563
INN); Cefmetazole Sodium (FDA
JAN
LS-150046
MFCD00214260
MolPort-005-934-200
Prestwick0_000700
Prestwick1_000700
Prestwick2_000700
Prestwick3_000700
SKF 83088
SPBio_002780
U 72791
U-72791; U-72791A
U-72791A
UNII-3J962UJT8H
USAN
USAN)
USP
USP)
USP); Cefmetazole Sodium (FDA
USP); Cefmetazole Sodium (JAN
Zefazone
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SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
-0.93 |
4.22 |
-83.18 |
1 |
12 |
-1 |
166 |
470.538 |
9 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| ALOGPS_SOLUBILITY |
2.16e+00 g/l |
DrugBank-approved |
| UniProt Database Links |
AMPH_ECO57; AMPH_ECOLI |
ChEBI |
| therap |
antibacterial |
MicroSource Spectrum |
| Indications |
Antibiotic |
KeyOrganics Bioactives |
| Therapy |
antimicrobial |
SMDC Iconix |
| PUBCHEM_PATENT_ID |
EP0046596A1; EP0049118A2; EP0049119A2; EP0050965A1; EP0051278A1; EP0053815A1; EP0053816A1; EP0055870A1; EP0092948A1; EP0092948A2; EP0095764A2; EP0113242A2; EP0134420A1; EP0138523A1; EP0145240A2; EP0154132A1; EP0154132B1; EP0190833A2; EP0190833B1; EP023124 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
