AG0039A3

61336-70-7 | 6-[2-Amino-2-(4-hydroxyphenyl)-acetyl]amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate

AG0039A3

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CAS Number	61336-70-7
Catalog Number	AG0039A3(AGN-PC-0T05VG)
Chemical Name	6-[2-Amino-2-(4-hydroxyphenyl)-acetyl]amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate
EC Number	612-127-4
IUPAC Name	(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate
InChI	InChI=1S/C16H19N3O5S.3H2O/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;;;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);3*1H2/t9-,10-,11+,14-;;;/m1.../s1
InChI Key	MQXQVCLAUDMCEF-CWLIKTDRSA-N
MDL Number	MFCD00072029
Molecular Formula	C16H25N3O8S
Molecular Weight	419.4500
SMILES	O.O.O.NC(C(=O)NC1C2SC(C(N2C1=O)C(=O)O)(C)C)C1=CC=C(C=C1)O
UNII	804826J2HU
Synonyms	Actimoxi, Amoxicillin, Amoxicillin Anhydrous, Amoxicillin monopotassium salt, Amoxicillin monosodium salt, Amoxicillin Sodium, Amoxicillin trihydrate, Amoxicillin, (R*)-isomer, Amoxicilline, Amoxil, Amoxycillin, BRL 2333, BRL-2333, BRL2333, Clamoxyl, Clamoxyl G.A., Clamoxyl parenteral, Hydroxyampicillin, Penamox, Polymox, Trimox, Wymox, Amoxicillin trihydrate, Larotid, Polymox, Trimox, 61336-70-7, Amoxipen, Moxaline, Amodex, Clamoxyl, Amoxil, Zimox, Robamox, Utimox, Wymox, Amoksicillin, Kentrocyllin, Novabritine, Zamocilline, Alfamox, Amophar, Amoxidal, Amoxillat, Amoxina, Amoxine, Benzoral, Flemoxine, Galenamox, Gramidil, Himinomax, Izoltil, Matasedrin, Metifarma, Pacetocin, Pamocil, Paradroxil, Siganopen, Simplamox, Sintopen, Velamox, Zamocillin, Amoran, Ciblor, Amoxi-wolff, Uro-clamoxyl, Amoxi-Diolan, Amoksicillin forte, A-Gram, Dura AX, Amoxicillin-ratiopharm, Drg-0075, BRL 2333, AM 7, UNII-804826J2HU, alpha-Amino-p-hydroxybenzylpenicillin trihydrate, Moxatag, 804826J2HU, Amoxicilline (INN), AMOX, Amoxycillin Trihydrate, (2S,5R,6R)-6-((R)-(-)-2-Amino-2-(p-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid trihydrate, (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((amino(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, trihydrate (2S-(2alpha,5alpha,6beta(S*)))-, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((amino(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, trihydrate(2S-(2alpha,5alpha,6beta(S*)))-, Amoxicillin [USAN], Neotetranase, Sawacillin, Pasetocin, Eupen, MFCD00072029, Amoxil trihydrate, C16H19N3O5S.3H2O, Amoxipen trihydrate, Dispermox (TN), Moxaline trihydrate, Pasetocin (TN), (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate, (2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate, Amoxicillin (USP), Amoxicillin PULSYS, amoxicillin-trihydrat, Amoxil (TN), amoxicillin-trihydrate, Amoxicillin [USAN:USP:INN:BAN:JAN], BRL 2333 trihydrate, AC1L1XZ7, Amoxicillin hydrate (1:3), Amoxicillin hydrate (JP17), DTXSID2022599, CHEBI:51254, APC-111, BIA0101, MQXQVCLAUDMCEF-CWLIKTDRSA-N, ZX-AFC000593, KM0495, AKOS015896673, API0007243, KS-5338, AK143350, LS-149722, ST24045965, D00229, I06-2211, Amoxicillin trihydrate, VETRANAL(TM), analytical standard, Amoxicillin, United States Pharmacopeia (USP) Reference Standard, Amoxicillin trihydrate, British Pharmacopoeia (BP) Reference Standard, Amoxicillin trihydrate, European Pharmacopoeia (EP) Reference Standard, Amoxicillin trihydrate, Pharmaceutical Secondary Standard; Certified Reference Material, (2S,5R,6R)-6-((R)-2-amino-2-(4-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2R)-amino(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, trihydrate, (2S,5R,6R)-, 6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid trihydrate, Amoxicillin trihydrate for performance verification, European Pharmacopoeia (EP) Reference Standard, amoxicillin, Imacillin, Hiconcil, Moxal, Augmentin, DisperMox, Amolin, Mixture Name, AMPC, AMOXICILLIN PEDIATRIC, BRL-2333, CID62883, CS-O-11598, C16-H19-N3-O5-S.3H2-O, 26787-78-0, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, trihydrate, (2S,5R,6R)-, (2S,5R,6R)-6-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-amino(4-hydroxyphenyl) acetyl]amino]-3,3-dimethyl-7-oxo-, trihydrate, (2S,5R,6R)-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, trihydrate, [2S-[2.alpha.,5.alpha.,6.beta.(S*)]]-,

Complexity	590
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	419.136g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	419.449g/mol
Monoisotopic Mass	419.136g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	161A^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

Lot Number