Basic information
- Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-ethenyl-8-oxo-, diphenylmethyl ester, hydrochloride (1:1),(6R,7R)-
- Superlist Name:
- 7-Amino-3-vinyl-3-cephem-4-carboxylic acid diphenylmethyl ester monohydrochloride
- CAS No.:
79349-67-0
- Molecular Structure:
![Molecular Structure of 79349-67-0 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-ethenyl-8-oxo-, diphenylmethyl ester, hydrochloride (1:1),(6R,7R)-)](http://www.lookchem.com/300w/2010/0712/79349-67-0.jpg)
- Formula:
- C22H20N2O3S.HCl
- Molecular Weight:
- 428.93
- Synonyms:
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-ethenyl-8-oxo-, diphenylmethyl ester, monohydrochloride,(6R,7R)- (9CI);5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-ethenyl-8-oxo-, diphenylmethyl ester, monohydrochloride, (6R-trans)-;
- Density:
- 1.214 g/mL at 25 °C(lit.)
- Melting Point:
- 49-52 °C
- Boiling Point:
- 140 °C15 mm Hg(lit.)
- Flash Point:
- >230 °F
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-37/39 Details
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Specification
The systematic name of 7-Amino-3-vinyl-3-cephem-4-carboxylic acid diphenylmethyl ester monohydrochloride is 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-ethenyl-8-oxo-, diphenylmethyl ester, (6R)-, hydrochloride (1:1). CAS Registry Number 79349-67-0, it is also named as Diphenylmethyl (6R)-7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride (1:1). The product's categorie is organic acid. It is yellow or light yellow crystalline powder which is used as pharmaceutical intermediate.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:C=CC1=C(N2[C@@H](C(C2=O)N)SC1)C(=O)OC(c3ccccc3)c4ccccc4.Cl
2. InChI:InChI=1/C22H20N2O3S.ClH/c1-2-14-13-28-21-17(23)20(25)24(21)18(14)22(26)27-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h2-12,17,19,21H,1,13,23H2;1H/t17,21-;/m1./s1
