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106447-41-0

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Basic Information
CAS No.: 106447-41-0
Name: 7-Amino-8-oxo-3-(cis-prop-1-enyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester hydrochloride
Article Data: 4
Molecular Structure:
Molecular Structure of 106447-41-0 (7-Amino-8-oxo-3-(cis-prop-1-enyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester hydrochloride)
Formula: C23H22 N2 O3 S
Molecular Weight: 406.505
Synonyms: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-(1-propenyl)-, diphenylmethyl ester, [6R-[3(Z),6a,7b]]-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-(1Z)-1-propenyl-, diphenylmethyl ester, (6R,7R)- (9CI)
EINECS: 1312995-182-4
PSA: 97.93000
LogP: 4.83200
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Chemistry

Molecule structure of 7-Amino-8-oxo-3-(cis-prop-1-enyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester hydrochloride (CAS NO.106447-41-0):

Molecular Formula: C23H23ClN2O3S
Molecular Weight :442.97 g/mol
InChI: InChI=1/C23H22N2O3S.ClH/c1-2-9-17-14-29-22-18(24)21(26)25(22)19(17)23(27)28-20(15-10-5-3-6-11-15)16-12-7-4-8-13-16;/h2-13,18,20,22H,14,24H2,1H3;1H 
InChIKey: BZFZFEUVSJDIEZ-UHFFFAOYAS
Std. InChI: InChI=1S/C23H22N2O3S.ClH/c1-2-9-17-14-29-22-18(24)21(26)25(22)19(17)23(27)28-20(15-10-5-3-6-11-15)16-12-7-4-8-13-16;/h2-13,18,20,22H,14,24H2,1H3;1H 
Std. InChIKey of 7-Amino-8-oxo-3-(cis-prop-1-enyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester hydrochloride (CAS NO.106447-41-0): BZFZFEUVSJDIEZ-UHFFFAOYSA-N

Specification

 7-Amino-8-oxo-3-(cis-prop-1-enyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester hydrochloride (CAS NO.106447-41-0) is also named as 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-8-oxo-3-(1-propen-1-yl)-, diphenylmethyl ester, hydrochloride (1:1) ; Diphenylmethyl 7-amino-8-oxo-3-(prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride (1:1) .