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50846-45-2

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  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-,1-[(ethoxycarbonyl)oxy]ethyl ester, (2S,5R,6R)-

    Cas No: 50846-45-2

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  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-,1-[(ethoxycarbonyl)oxy]ethyl ester, (2S,5R,6R)-

    Cas No: 50846-45-2

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  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-,1-[(ethoxycarbonyl)oxy]ethyl ester, (2S,5R,6R)-

    Cas No: 50846-45-2

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50846-45-2 Usage

Originator

Bacmecillinam,ZYF Pharm Chemical

Manufacturing Process

1-Hexamethyleneiminocarboxaldehyde dimethylacetate (3.1 g) in chloroform (50 ml) was added dropwise at -30°C to a solution of 1’- ethoxycarbonyloxyethyl 6-aminopenicillanate (5.0 g) and triethylamine (1.9 ml) in chloroform (150 ml) during 15 min. Then, the temperature is allowed to rise to 0°C during 30 min, and the mixture is stirred at 0°C for another 60 min. Water (120 ml) is added, and stirring is continued for 10 min. The water phase is separated and the organic layer is washed with water and stripped. There was obtained 5.0 g of the 1’-ethoxycarbonyloxy-ethyl 6-(hexahydro-1Hazepin- l-yl) methyleneaminopenicillanate.

Therapeutic Function

Antibiotic

Safety Profile

An experimental teratogen. Otherexperimental reproductive effects. When heated todecomposition it emits toxic fumes of SOx and NOx.

Check Digit Verification of cas no

The CAS Registry Mumber 50846-45-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,0,8,4 and 6 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 50846-45:
(7*5)+(6*0)+(5*8)+(4*4)+(3*6)+(2*4)+(1*5)=122
122 % 10 = 2
So 50846-45-2 is a valid CAS Registry Number.
InChI:InChI=1/C20H31N3O6S/c1-5-27-19(26)29-13(2)28-18(25)15-20(3,4)30-17-14(16(24)23(15)17)21-12-22-10-8-6-7-9-11-22/h12-15,17H,5-11H2,1-4H3/b21-12+/t13?,14-,15+,17-/m1/s1

50846-45-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 6-ethoxy-4-thioxo-7-oxa-2,3,5-triaza-6-phosphanonan-1-oate 6-oxide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:50846-45-2 SDS

50846-45-2Downstream Products

50846-45-2Relevant articles and documents

Esters of amidinopenicillanic acids, pharmaceutical preparations and method for treating infectious diseases

-

, (2008/06/13)

New esters of amidinopenicillanic acids of the formula STR1 wherein each of R1 and R2, which are the same or different, is a saturated or unsaturated alkyl group, a cycloalkyl, or cycloalkyl-alkyl group, or wherein R1 and R2, together with the adjacent nitrogen atom, form a heterocyclic ring system; R3 is the radical STR2 in which radicals R4 is an alkyl, phenyl, or substituted phenyl; and R5 is hydrogen or methyl, useful as active ingredients in pharmaceutical preparation and methods for the treatment of infectious diseases.

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