AG0039KM

89786-04-9 | (2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

AG0039KM

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CAS Number	89786-04-9
Catalog Number	AG0039KM(AGN-PC-0VPL7N)
Chemical Name	(2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
EC Number	618-303-7
IUPAC Name	(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChI	InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
InChI Key	LPQZKKCYTLCDGQ-WEDXCCLWSA-N
MDL Number	MFCD00867002
Molecular Formula	C10H12N4O5S
Molecular Weight	300.2911
SMILES	C[C@@]1([C@@H](N2C(C[C@H]2S1(=O)=O)=O)C(=O)O)CN1N=NC=C1
UNII	SE10G96M8W
Synonyms	tazobactam, Tazobactam Sodium, YTR 830, YTR 830H, YTR-830, YTR830, Tazobactam, 89786-04-9, Tazobactam acid, Tazobactamum, YTR-830H, Zosyn, UNII-SE10G96M8W, YTR 830H, CHEMBL404, CL-298741, CHEBI:9421, SE10G96M8W, YTR 830 H, (2S,3S,5R)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide, Tazobactamum [INN-Latin], CCRIS 2203, Cl 298741, BRN 4787943, (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,3S,5R)-3-Methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxide, (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4, CL 298,741, SR-01000872598, YTR830H, YTR830, Tazobactam,(S), Tazobactam [USAN:USP:INN:BAN], (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4?^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,3S,5R)-3-Methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 4,4-dioxide, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S,3S,5R)-, AK163672, CL298741, Tazobactum (Free acid), Tazobactam;Tazobactan acid, EC 618-303-7, BIDD:GT0212, SCHEMBL122302, AC1L3X07, DTXSID8023634, Tazobactam (JP17/USAN/INN), LPQZKKCYTLCDGQ-WEDXCCLWSA-N, HMS3714G17, (2S,3S,5S)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S-(2alpha,3beta,5alpha))-, BCP09757, EX-A1377, HY-B1418, KS-00000KZ3, ZINC3787060, BDBM50053173, MFCD00867002, s3077, AKOS015960801, AC-7620, AN-8836, API0004329, CCG-207890, CS-4914, DB01606, DS-8301, AJ-45613, BC204218, CC-34652, SC-15957, AX8040438, FT-0630968, ST24049330, A-8312, C07771, D00660, T-1445, 786T049, A843310, C-18753, Tazobactam, Antibiotic for Culture Media Use Only, SR-01000872598-1, SR-01000872598-2, 89786-04-9, 89785-84-2 (sodium salt), BRD-K14312455-001-01-6, (2S,3S,5R)-3-((1H-1,2,3-triazol-1-yl)methyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide, (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(1-triazolylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4$l;{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda(6)-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, (2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda 6-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda6-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, (2S,3S,5R)-3-methyl-4,4,7-tris(oxidanylidene)-3-(1,2,3-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7- oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, [2S- (2alpha,3beta,5alpha)]-, Tazobactamacid, Piprataz (TN), Tazocin (TN), TAZOBACTAM SODIUM, Zosyn (TN), D0QQ7D, Tazobactam (JAN/USAN/INN), Tazobactam [USAN:BAN:INN], Tazobactam [USAN:INN:BAN], YTR 830, YTR-830, C10-H12-N4-O5-S, CID123630, ACN-028785, CS-O-02523, 1717A, T3732, D000078142, TAZ, 2-beta-[(1,2,3-triazol-1-yl)methyl]-2-alpha-methylpenam-3-alpha-carboxylic acid 1,1-dioxide, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S,3S,5R)-, 93528-38-2,

Complexity	573
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	300.053g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	300.289g/mol
Monoisotopic Mass	300.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	131A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number