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| CAS Number | 25953-19-9 |
| Catalog Number | AG007N59(AGN-PC-0R1V6V) |
| Chemical Name | Cefazolin |
| IUPAC Name | (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChI | InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1 |
| InChI Key | MLYYVTUWGNIJIB-BXKDBHETSA-N |
| MDL Number | MFCD00243010 |
| Molecular Formula | C14H14N8O4S3 |
| Molecular Weight | 454.5072 |
| SMILES | O=C(C(N12)=C(CSC3=NN=C(C)S3)CS[C@]2([H])[C@H](NC(CN4N=NN=C4)=O)C1=O)O |
| UNII | IHS69L0Y4T |
| Synonyms | Ancef,
Cefamedin,
Cefamezine,
Cefazolin,
Cefazolin Sodium,
Cephamezine,
Cephazolin,
Cephazolin Sodium,
Cephazolin, Sodium,
Gramaxin,
Kefzol,
Sodium Cephazolin,
Sodium, Cefazolin,
Sodium, Cephazolin,
Totacef,
cefazolin,
Cephazolin,
Cefazoline,
Cephamezine,
25953-19-9,
Cefamezin,
Cephazoline,
Cephazolidin,
Cefazolina,
Cefazolinum,
Cefazolin acid,
Elzogram,
Cefazoline [INN-French],
Cefazolinum [INN-Latin],
Cefazolina [INN-Spanish],
Totacef,
Kefzol,
CEZ,
UNII-IHS69L0Y4T,
HSDB 3213,
CHEBI:474053,
EINECS 247-362-8,
Cefazolin sodium salt,
BRN 4169371,
IHS69L0Y4T,
(6R,7R)-3-(((5-Methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(2-(1H-tetrazol-1-yl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid,
(6R-trans)-3-(((5-Methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(((1H-tetrazol-1-yl)acetyl)-amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid,
7-(1-(1H-)-Tetrazolylacetamido)-3-(2-(5-methyl-1,3,4-thiadiazolyl)thiomethyl)delta3-cephem-4-carboxylic acid,
NCGC00159465-02,
Cefamezine,
DSSTox_CID_2753,
DSSTox_RID_76717,
DSSTox_GSID_22753,
(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,
(6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,
Cefazolin [USAN:INN],
cefazolin(usp),
Cefazina,
Firmacef,
Liviclina,
Atirin,
Cefazolin (USP),
(6R,7R)-7-(2-(1H-tetrazol-1-yl)acetamido)-3-((5-methyl-1,3,4-thiadiazol-2-ylthio)methyl)-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, 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(((1H-tetrazol-1-yl)acetyl)amino)-, (6R-trans)-,
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(2-(1H-tetrazol-1-yl)acetamido)-,
SMR000387025,
CAS-25953-19-9,
SKF 41558,
SK&F-41558,
Cefazolin [USP:INN:BAN],
Ancef, Kefzol,
C14H14N8O4S3,
Cefazolin acid,(S),
NSC291561,
Spectrum_000106,
AC1Q6LOT,
27164-46-1,
Prestwick0_000736,
Prestwick1_000736,
Prestwick2_000736,
Prestwick3_000736,
Spectrum2_001140,
Spectrum3_000330,
Spectrum4_000267,
Spectrum5_000665,
Cefazolinfor culture media,
Epitope ID:116197,
EC 247-362-8,
SCHEMBL2841,
CHEMBL1435,
Lopac0_000274,
BSPBio_000692,
BSPBio_001939,
KBioGR_000734,
KBioSS_000546,
MLS001032060,
MLS001049010,
DivK1c_000014,
SPBio_001039,
SPBio_002631,
AC1L1P98,
BPBio1_000762,
DTXSID2022753,
CTK8F8518,
KBio1_000014,
KBio2_000546,
KBio2_003114,
KBio2_005682,
KBio3_001159,
MLYYVTUWGNIJIB-BXKDBHETSA-N,
NINDS_000014,
HMS2268D15,
ZINC3830405,
Tox21_111691,
BDBM50370587,
AKOS015962265,
Tox21_111691_1,
ACN-045414,
DB01327,
IDI1_000014,
NCGC00022653-09,
(6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7beta-[(1H-tetrazol-1-ylacetyl)amino]-3,4-didehydrocepham-4-carboxylic acid,
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-((1H-tetrazol-1-ylacetyl)amino)-, (6R-trans)-,
AC-16010,
CC-25553,
SC-75958,
SBI-0050262.P004,
LS-150084,
FT-0603062,
C06880,
D02299,
953C199,
A818105,
C-22534,
W-107209,
(6R, 7R)-3-[[(5-Methyl-1,3,4-thiadiazol-2- yl)thio]methyl]-8-oxo-7-[[1H-tetrazol-1- yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2- ene-2-carboxylic acid,
(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,
(6R,7R)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,
(6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[2-(1H-1,2,3,4-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,
(6R,7R)-7-(2-(1H-tetrazol-1-yl)acetamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,
Ancef,
Cefamedin,
Gramaxin,
Cephazolin Sodium,
cefaprim,
Sodium cephazolin,
Cefazil,
Acef,
Sodium, Cefazolin,
Cefacidal (TN),
Cefamezin (TN),
Novaporin (TN),
Cephazolin, Sodium,
Sodium, Cephazolin,
Elzogram (TN),
Gramaxin (TN),
Kefzolan (TN),
Cefrina (TN),
Faxilen (TN),
Kefazol (TN),
Kezolin (TN),
Zolicef (TN),
CEFAZOLIN SODIUM,
Kefzol (TN),
Ancef (TN),
Kefol (TN),
D09KDN,
CID33255,
C14-H14-N8-O4-S3,
CS-O-01111,
D002437,
Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid,
(6R, 7R)-3-[[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1H-tetrazol-1-yl)acetyl]amino]-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, 3-[[(5-methyl-1,3,4-thiadiazol- 2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl )amino]-, (6R,7R)-,
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-, (6R-trans)-,
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[2-(1H-tetrazol-1-yl)acetamido]-,
|
| Complexity | 740 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 454.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 454.498g/mol |
| Monoisotopic Mass | 454.03g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 235A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H317-H334 |
| Packing Group | Ⅲ |
| Precautionary statements | P261-P280-P284-P304+P340-P342+P311 |
| UN Code | UN 2811 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

