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AG00C0EG

Name: pivmecillinam
Brand: Angene Chemical
SKU: AG00C0EG

32886-97-8 | pivmecillinam

Chemical structure of pivmecillinam, CAS 32886-97-8

AG00C0EG

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CAS Number	32886-97-8
Catalog Number	AG00C0EG(AGN-PC-0R89IK)
Chemical Name	pivmecillinam
EC Number	251-276-6
IUPAC Name	2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChI	InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/t14-,15+,17-/m1/s1
InChI Key	NPGNOVNWUSPMDP-HLLBOEOZSA-N
MDL Number	MFCD01694516
Molecular Formula	C21H33N3O5S
Molecular Weight	439.5688
SMILES	CC(C(OCOC([C@H]1C(C)(C)S[C@@H]2[C@@H](C(=O)N12)N=CN1CCCCCC1)=O)=O)(C)C
UNII	1WAM1OQ30B
Synonyms	Amdinocillin Pivoxil, FL 1039, FL-1039, FL1039, Hydrochloride, Pivmecillinam, Mecillinam Pivaloyl Ester, Pivaloyl Ester, Mecillinam, Pivamdinocillin, Pivmecillinam, Pivmecillinam Hydrochloride, Pivoxil, Amdinocillin, Selexid, Pivmecillinam, Amdinocillin Pivoxil, 32886-97-8, Pivmecilinamo, Pivmecillinamum, UNII-1WAM1OQ30B, amdinocillin, pivaloyloxymethyl ester, Amdinocillin pivoxil [USAN], Pivmecillinam (INN), Pivmecillinam HCl, Pivmecilinamo [INN-Spanish], Pivmecillinamum [INN-Latin], 1WAM1OQ30B, Amdinocillin pivoxil (USAN), CHEBI:51210, Pivmecillinam [INN], [(2,2-dimethylpropanoyl)oxy]methyl (2S,5R,6R)-6-[(azepan-1-ylmethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, [(2,2-dimethylpropanoyl)oxy]methyl 6beta-[(azepan-1-ylmethylidene)amino]-2,2-dimethylpenam-3alpha-carboxylate, C21H33N3O5S, EINECS 251-276-6, Coactabs (TN), Hydroxymethyl (2S,5R,6R)-6-(((hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate pivalate (ester), NCGC00016813-01, CAS-32887-03-9, SR-01000838842, 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (2S-(2alpha,5alpha,6beta))-, [(2,2-dimethylpropanoyl)oxy]methyl(2s,5r,6r)-6-{[(e)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, AC1L3GMZ, Prestwick0_001053, Prestwick1_001053, Prestwick2_001053, Prestwick3_001053, SCHEMBL33907, SCHEMBL33908, BSPBio_001006, SPBio_002933, AC1Q68K2, BPBio1_001108, CHEMBL1525183, CHEMBL1616433, CHEMBL1650818, DTXSID7048538, Pivmecillinam, >=98% (HPLC), BCP07843, HY-B0810, ZINC4214799, 3974AH, ZINC13704173, AKOS030526135, API0015830, DB01605, Ro-109071, NCGC00179344-01, AB00514713, FT-0630566, D02889, SR-01000838842-2, BRD-K67100011-003-03-0, (2S,6R)-pivaloyloxymethyl 6-((E)-azepan-1-ylmethyleneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-,(2,2-dimethyl-1-oxopropoxy)methyl ester, (2S,5R,6R)-, Pivamdinocillin, Coactabs, Selexid, Extraneal, Icodial, Adept, PMPC, Penomax (TN), Selexid (TN), Icodextrin [USAN], ICODEXTRIN, Pivoxil, Amdinocillin, Mecillinam Pivaloyl Ester, Adept (polysaccharide), pivmecillinam hydrochloride, D08HDY, Pivaloyl Ester, Mecillinam, PIVMECILLINAM HCl salt, Hydrochloride, Pivmecillinam, UNII-2NX48Z0A9G, Icodextrin [USAN:INN:BAN], HSDB 7840, Ro 10-9071, KST-1A3932, (C6-H10-O5)n-, AR-1A8050, C21-H33-N3-O5-S, CID115163, FL1039, CS-4180, FL 1039, FL-1039, D000561, 337376-15-5, Icodextrin, sodium chloride, sodium lactate, calcium chloride, pivaloyloxymethyl 6-[(hexahydro-1H-azepin-1-yl)methyleneamino]penicillanate, 2,2-dimethylpropanoyloxymethyl (5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(hexahydro-1H-azepin- 1-yl)methylene]amino]-3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (2S,5R,6R)-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, [2S-(2.alpha.,5.alpha.,6.beta.)]-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-, hydroxymethyl ester pivalate (ester), ()-,

Complexity	710
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	439.214g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	439.571g/mol
Monoisotopic Mass	439.214g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	114A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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CERTIFICATE OF ANALYSIS

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

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Angene International Limited