AG000OIB

125697-92-9 | Benzoic acid, 5-[[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-

AG000OIB

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CAS Number	125697-92-9
Catalog Number	AG000OIB(AGN-PC-0PI40H)
Chemical Name	Benzoic acid, 5-[[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-
IUPAC Name	5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
InChI	InChI=1S/C21H19NO6/c23-16-6-8-19(25)14(9-16)12-22(11-13-3-1-2-4-18(13)24)15-5-7-20(26)17(10-15)21(27)28/h1-10,23-26H,11-12H2,(H,27,28)
InChI Key	ULTTYPMRMMDONC-UHFFFAOYSA-N
MDL Number	MFCD00153822
Molecular Formula	C21H19NO6
Molecular Weight	381.3787
NSC Number	678027
SMILES	OC1=C(C=C(C=C1)O)CN(C=1C=CC(=C(C(=O)O)C1)O)CC1=C(C=CC=C1)O
UNII	3Y0G32G2RV
Synonyms	5-amino-((N-2,5-dihydroxybenzyl)-N'-2-hydroxybenzyl)aminosalicylic acid, lavendustin A, RG-14355, RG14355, Lavendustin A, 125697-92-9, RG14355, UNII-3Y0G32G2RV, 3Y0G32G2RV, CHEMBL103552, C21H19NO6, Lavendustin A, from Streptomyces griseolavendus, Benzoic acid,5-[[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-, RG 14355, 5-(((2,5-Dihydroxyphenyl)methyl)((2-hydroxyphenyl)methyl)amino)-2-hydroxybenzoic acid, Benzoic acid, 5-(((2,5-dihydroxyphenyl)methyl)((2-hydroxyphenyl)methyl)amino)-2-hydroxy-, 5-((2,5-dihydroxybenzyl)(2-hydroxybenzyl)amino)-2-hydroxybenzoic acid, 5-[(2,5-dihydroxybenzyl)(2-hydroxybenzyl)amino]-2-hydroxybenzoic acid, 5-Amino-((N-2,5-dihydroxybenzyl)-N?-2-hydroxybenzyl)salicylic acid, 5-Amino-[(N-2,5-dihydroxybenzyl)-N′-2-hydroxybenzyl]salicylic Acid, 5-[[(2,5-Dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid, 5-{[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino}-2-hydroxybenzoic acid, Benzoic acid, 5-[[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-, RG-14355, BiomolKI_000009, ACMC-20c89j, BiomolKI2_000019, AC1L1GY5, AC1Q5V0X, CBiol_002008, BMK1-B9, BSPBio_001191, KBioGR_000531, KBioSS_000531, SCHEMBL159085, CHEBI:92413, CTK4B4738, KBio2_000531, KBio2_003099, KBio2_005667, KBio3_000961, KBio3_000962, DTXSID00154855, Bio1_000294, Bio1_000783, Bio1_001272, Bio2_000426, Bio2_000906, HMS1362K13, HMS1792K13, HMS1990K13, HMS3403K13, BCP20666, ZINC3873083, BDBM50038202, IN1274, NSC678027, AKOS015914247, CCG-100613, NSC 678027, NSC-678027, TRA0073584, IDI1_002181, SMP2_000273, NCGC00162408-01, NCGC00162408-02, NCGC00162408-03, NCGC00162408-04, HY-18963, NCI60_027898, LS-172642, RT-013561, B6693, CS-0014682, FT-0627734, ST50405209, V0351, SR-05000002164, J-005265, SR-05000002164-2, BRD-K23583188-001-05-6, I14-44474, 5-amino-[(N-2,5-dihydroxybenzyl)-N'-2-hydroxybenzyl]salicylic acid, 5-amino-[(N-2,5-dihydroxybenzyl)-N''-2-hydroxybenzyl]salicylic acid, 5-[(2,5-dihydroxy-benzyl)-(2-hydroxy-benzyl)-amino]- 2-hydroxy-benzoic acid, 5-[(2,5-Dihydroxy-benzyl)-(2-hydroxy-benzyl)-amino]-2-hydroxy-benzoic acid, 5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid, 5-{[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino}-2-hydroxybenzo ic acid, Benzoic acid,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-, D0D9TU, CID3894, AR-1G6483, C21-H19-N-O6, C062898, 5-amino-((N-2,5-dihydroxybenzyl)-N'-2-hydroxybenzyl)aminosalicylic acid, 105827-91-6, 128-55-2,

Complexity	517
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	381.121g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	381.384g/mol
Monoisotopic Mass	381.121g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	122A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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