AG002W0O

28657-80-9 | [1,3]Dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-

AG002W0O

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CAS Number	28657-80-9
Catalog Number	AG002W0O(AGN-PC-0R4BDL)
Chemical Name	[1,3]Dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-
EC Number	249-133-8
IUPAC Name	1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid
InChI	InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)
InChI Key	VDUWPHTZYNWKRN-UHFFFAOYSA-N
MDL Number	MFCD00056776
Molecular Formula	C12H10N2O5
Molecular Weight	262.2182
SMILES	C(C)N1N=C(C(C2=CC3=C(C=C12)OCO3)=O)C(=O)O
UNII	LMK22VUH23
Synonyms	Acid, Azolinic, Azolinic Acid, Cinobac, Cinoxacin, Clinoxacin, Compound 64716, cinoxacin, 28657-80-9, Cinobac, Cinoxacine, Cinoxacino, Cinoxacinum, Compound 64716, Cinobactin, Uronorm, Cinx, Cinoxacine [INN-French], Cinoxacinum [INN-Latin], Cinoxacino [INN-Spanish], UNII-LMK22VUH23, NSC 304467, MLS000069630, 1-Ethyl-6,7-methylenedioxy-4(1H)-oxocinnoline-3-carboxylic acid, EINECS 249-133-8, 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid, BRN 1084304, LMK22VUH23, 1-Ethyl-1,4-dihydro-4-oxo(1,3)dioxolo(4,5-g)cinnoline-3-carboxylic acid, SMR000058232, CHEBI:3716, VDUWPHTZYNWKRN-UHFFFAOYSA-N, C12H10N2O5, 1-Ethyl-4-oxo-1,4-dihydro[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid, NSC304467, NCGC00015277-02, Clinoxacin, Azolinic Acid, CAS-28657-80-9, DSSTox_CID_2822, (1,3)Dioxolo(4,5-g)cinnoline-3-carboxylic acid, 1,4-dihydro-1-ethyl-4-oxo-, (1,3)Dioxolo(4,5-g)cinnoline-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-, [1,3]Dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-, 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1-Ethyl-4-oxo-1,4-dihydro-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid, DSSTox_RID_76745, DSSTox_GSID_22822, Lilly 64716, 1-ethyl-4-oxo-1H,4H,7H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1-ethyl-4-oxohydro-7H-1,3-dioxoleno[4,5-g]cinnoline-3-carboxylic acid, Cinobac (TN), Cinoxacin [USAN:BAN:INN:JAN], SR-01000000129, Noxigram, CCRIS 8206, 1-ethyl-1,4-dihydro-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid, TNP00246, Prestwick_239, Cinoxacin [USAN:USP:INN:BAN:JAN], PubChem16235, Spectrum_000152, AC1L1EEQ, Opera_ID_1392, Prestwick0_000780, Prestwick1_000780, Prestwick2_000780, Prestwick3_000780, Spectrum2_000570, Spectrum3_000352, Spectrum4_000289, Spectrum5_000749, Lopac-C-8645, C 8645, cid_2762, CHEMBL1208, Lopac0_000309, Oprea1_131085, SCHEMBL43770, BSPBio_000860, BSPBio_002043, KBioGR_000818, KBioSS_000632, MLS001148076, DivK1c_000318, SPECTRUM1500190, SPBio_000360, SPBio_002799, Cinoxacin (JP17/USP/INN), AC1Q317Y, BPBio1_000946, DTXSID8022822, BDBM39350, CTK1A2019, HMS500P20, KBio1_000318, KBio2_000632, KBio2_003200, KBio2_005768, KBio3_001263, ZINC32350, NINDS_000318, HMS1570K22, HMS1920O11, HMS2091E18, HMS2097K22, HMS2235K07, HMS3260N20, HMS3370B19, HMS3714K22, Pharmakon1600-01500190, HY-B1085, Tox21_110121, Tox21_500309, 2323AH, CCG-39160, MFCD00056776, NSC756695, SBB003082, AKOS022507372, Tox21_110121_1, CS-4652, DB00827, LP00309, MCULE-3390574434, NSC-304467, NSC-756695, IDI1_000318, NCGC00015277-01, NCGC00015277-03, NCGC00015277-04, NCGC00015277-05, NCGC00015277-06, NCGC00015277-07, NCGC00015277-08, NCGC00015277-09, NCGC00015277-10, NCGC00015277-11, NCGC00015277-12, NCGC00015277-13, NCGC00015277-14, NCGC00015277-17, NCGC00023754-03, NCGC00023754-04, NCGC00023754-05, NCGC00023754-06, NCGC00023754-07, NCGC00260994-01, LS-62687, ST044511, SBI-0050297.P004, EU-0100309, FT-0602947, SW196546-3, C08052, D00872, AB00051948_17, AB00051948_18, A819523, J-017182, SR-01000000129-2, SR-01000000129-4, SR-01000000129-7, BRD-K14704277-001-05-1, BRD-K14704277-001-15-0, 1-Ethyl-1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid, Cinoxacin, United States Pharmacopeia (USP) Reference Standard, [1,5-g]cinnoline-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-, 1-Ethyl-1,4-dihydro-4-oxo(1,3)dioxolo(4,5-g)cinnoline-3-carboxylicacid, 1-ethyl-4-oxidanylidene-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid, [1,3]Dioxolo[4,5-g]cinnoline-3-carboxylicacid, 1-ethyl-1,4-dihydro-4-oxo-, Acid, Azolinic, D07UXP, Cinoxacin (JAN/USP/INN), CID2762, Cinoxacin [USAN:INN:BAN:JAN], C12-H10-N2-O5, D002937, 1,3-Dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-,

Complexity	449
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.059g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	262.221g/mol
Monoisotopic Mass	262.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	88.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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