GCLE

Modify Date: 2024-01-03 09:10:21

GCLE Structure
GCLE structure
Common Name GCLE
CAS Number 104146-10-3 Molecular Weight 486.968
Density 1.4±0.1 g/cm3 Boiling Point 756.6±60.0 °C at 760 mmHg
Molecular Formula C24H23ClN2O5S Melting Point 153-155°C
MSDS N/A Flash Point 411.4±32.9 °C

 Names

Name 4-Methoxybenzyl 3-chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 756.6±60.0 °C at 760 mmHg
Melting Point 153-155°C
Molecular Formula C24H23ClN2O5S
Molecular Weight 486.968
Flash Point 411.4±32.9 °C
Exact Mass 486.101624
PSA 110.24000
LogP 1.89
Vapour Pressure 0.0±2.5 mmHg at 25°C
Index of Refraction 1.658
Storage condition -20?C Freezer, Under Inert Atmosphere

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI0369883
CHEMICAL NAME :
5-Thia-1-azabicyclo(4,2,0)oct-2-ene-2-carboxylic acid, 3-(chloromethyl)-8-oxo- 7-((phenylacetyl)amino)-, (4-methoxyphenyl)methyl ester, (6R-trans)-
CAS REGISTRY NUMBER :
104146-10-3
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C24-H23-Cl-N2-O5-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 15(Suppl 1),S94,1996
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 15(Suppl 1),S94,1996

 Safety Information

Hazard Codes Xn
Risk Phrases R22:Harmful if swallowed. R41:Risk of serious damage to eyes. R43:May cause sensitization by skin contact.
Safety Phrases S26-S36/37/39
RTECS XZ4380000
HS Code 2934999090

 Synthetic Route

~84%

GCLE Structure

GCLE

CAS#:104146-10-3

Literature: NIPPON CHEMICAL INDUSTRIAL COMPANY LIMITED Patent: EP1666483 A1, 2006 ; Location in patent: Page/Page column 20-21 ;

~85%

GCLE Structure

GCLE

CAS#:104146-10-3

Literature: EP1666483 A1, ; Page/Page column 16-19 ;

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

3-(Chloromethyl)-7-phenylacetylamino cephalosporanic acid p-methoxybenzyl ester
3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylic Acid 4-Methoxybenzyl Ester
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(chloromethyl)-8-oxo-7-[(2-phenylacetyl)amino]-, (4-methoxyphenyl)methyl ester, (6R,7R)-
GCLE
4-Methoxybenzyl 3-chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate
EINECS 403-040-0
MFCD00191253
4-Methoxybenzyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
T46 AN ES GUTJ CMV1R& EO G1G HVO1R DO1 &&(6R,7R)- Form
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