AG003QZS

74431-23-5 | (5R,6S)-3-((2-Formimidamidoethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate

AG003QZS

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CAS Number	74431-23-5
Catalog Number	AG003QZS(AGN-PC-0U595I)
Chemical Name	(5R,6S)-3-((2-Formimidamidoethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
IUPAC Name	(5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate
InChI	InChI=1S/C12H17N3O4S.H2O/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17;/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19);1H2/t6-,7-,9-;/m1./s1
InChI Key	GSOSVVULSKVSLQ-JJVRHELESA-N
MDL Number	MFCD09753321
Molecular Formula	C12H19N3O5S
Molecular Weight	317.3614
SMILES	O=C(C(N12)=C(SCCNC=N)C[C@]2([H])[C@@H]([C@H](O)C)C1=O)O.[H]O[H]
UNII	71OTZ9ZE0A
Synonyms	Anhydrous Imipenem, Anhydrous, Imipenem, Imipemide, Imipenem, Imipenem Anhydrous, Imipenem, Anhydrous, MK 0787, MK-0787, MK0787, N Formimidoylthienamycin, N-Formimidoylthienamycin, Imipenem monohydrate, 74431-23-5, Imipenem hydrate, UNII-71OTZ9ZE0A, Primaxin, (5R,6S)-3-((2-Formimidamidoethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate, 71OTZ9ZE0A, C12H17N3O4S.H2O, CHEBI:51799, Imipenem-1-wasser, MK-0787, N-formimidoyl thienamycin monohydrate, MFCD09753321, Imipenem monohydrate, 98%, Imipenem, Monohydrate, (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid--water (1/1), (5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid monohydrate, Tienam monohydrate, Imipenem (USP), (5R,6S)-3-((2-(Formimidoylamino)ethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid monohydrate, Imipenem,monohydrate, Primaxin monohydrate, Imipenem [USAN:USP:INN:BAN:JAN], AC1NQZYV, Imipenem hydrate (JP17), SCHEMBL5980, CHEMBL43708, GSOSVVULSKVSLQ-JJVRHELESA-N, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-((2-((iminomethyl)amino)ethyl)thio)-7-oxo-, monohydrate, (5R-(5alpha,6alpha(R*)))-, HY-B1369, AKOS015962000, CCG-213597, CS-W019618, DS-5383, Imipenem monohydrate, >=98% (HPLC), MP-0613, RL04827, AC-15445, AB0019764, FT-0670317, ST24020641, V0250, D00206, J10088, Imipenem, Antibiotic for Culture Media Use Only, 221I869, Q-101423, SR-05000000294-3, IMIPEMIDE; IMIPENEM; IMIPENEN; N-FORMIMIDOYLTHIENAMYCIN; TIENAMYCIN, Imipenem monohydrate, United States Pharmacopeia (USP) Reference Standard, Imipenem, Pharmaceutical Secondary Standard; Certified Reference Material, (5R,6S)-3-(2-formimidamidoethylthio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate, (5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate, (6 R,7 R)-7-AMIMO-8-OXO-3-(1-PROPENYL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID monohydrate, Primaxin monohydrate|||Tienam monohydrate|||(5R,6S)-3-((2-Formimidamidoethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid monohydrate, imipenem, Imipemide, Tienam, Zienam, Lmipenem hydrate, Imipenem (JP15/USP), Imipenem [USAN:BAN:INN:JAN], Imipenem [USAN:INN:BAN:JAN], 74431-23-5 (hydrate), CID5282372, CS-O-13169, CS-O-30602, C12-H17-N3-O4-S.H2-O, 1720H, SR-05000000294, 64221-86-9, IPM,

Complexity	491
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	317.105g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	317.36g/mol
Monoisotopic Mass	317.105g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	143A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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