BIH

NAPHTHALENE-2,6-DISULFONIC ACID

Created:	2004-08-11
Last modified:	2020-06-05

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3 entries where BIH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	11

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Chemical Component Summary
Name	NAPHTHALENE-2,6-DISULFONIC ACID
Synonyms	2,6-NAPHTHALENEDISULFONIC ACID; 2,6-NAPHTHALENEDISULPHONIC ACID
Systematic Name (OpenEye OEToolkits)	naphthalene-2,6-disulfonic acid
Formula	C₁₀ H₈ O₆ S₂
Molecular Weight	288.297
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O
SMILES	CACTVS	3.341	O[S](=O)(=O)c1ccc2cc(ccc2c1)[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O
Canonical SMILES	CACTVS	3.341	O[S](=O)(=O)c1ccc2cc(ccc2c1)[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKey	InChI	1.03	FITZJYAVATZPMJ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04640
Name	Naphthalene-2,6-disulfonic acid
Groups	experimental
Synonyms	naphthalene-2,6-disulphonic acid Ebert-Merz beta-acid Naphthalene-2,6-disulfonic acid 2,6-naphthalenedisulfonic acid
Categories	Arylsulfonates Arylsulfonic Acids Naphthalenes Sulfonic Acids Sulfur Acids Sulfur Compounds
CAS number	581-75-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Bacterioferritin comigratory protein	MTDAVLELPAATFDLPLSLSGGTQTTLRAHAGHWLVIYFYPKDSTPGCTT...	unknown
L-lactate dehydrogenase	MAPKAKIVLVGSGMIGGVMATLIVQKNLGDVVLFDIVKNMPHGKALDTSH...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource Name	Reference
PubChem	11390
ChEMBL	CHEMBL1206869
ChEBI	CHEBI:41070
CCDC/CSD	PAMMOH, KOBJAN, LONQEL, KOBHOZ, KOBHUF, ELAQUE, MOKPIN, MAXZOA, APONOJ, APONOJ02, HIBBUP, KOSNOY, APORIH, APORIH02, KIVZUL, PIVLUE, KOSNOY01, APOMEY, MIVQIU, MIJSAB
COD	4501229, 2239844, 4103284, 4103277