AG00HBLL

1098-97-1 | 4-Pyridinemethanol, 3,3'-[dithiobis(methylene)]bis[5-hydroxy-6-methyl-

AG00HBLL

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CAS Number	1098-97-1
Catalog Number	AG00HBLL(AGN-PC-0JKBLV)
Chemical Name	4-Pyridinemethanol, 3,3'-[dithiobis(methylene)]bis[5-hydroxy-6-methyl-
EC Number	214-150-1
IUPAC Name	5-[[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
InChI	InChI=1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3
InChI Key	SIXLXDIJGIWWFU-UHFFFAOYSA-N
MDL Number	MFCD00151477
Molecular Formula	C16H20N2O4S2
Molecular Weight	368.4710
NSC Number	759229
SMILES	OC1=C(CO)C(CSSCC2=CN=C(C)C(O)=C2CO)=CN=C1C
UNII	AK5Q5FZH2R
Synonyms	Bonifen, Dipyridoxolyldisulfide, Encephabol, Enerbol, Hydrochloride, Pyritinol, Piriditol, Piritinol, Piritoxina, Pyridoxinedisulfide, Pyrithioxin, Pyrithioxine, Pyritinol, Pyritinol Hydrochloride, PYRITINOL, Pyrithioxin, Pyrithioxine, 1098-97-1, Bonifen, Encefabol, Piritinol, Bonol, Pyridoxine disulfide, Vitamin B6 disulfide, Biocefalin, Epocan, Dipyridoxolyldisulfide, Pyritioxine, Pyridoxine-5-disulfide, Piritinolo [DCIT], UNII-AK5Q5FZH2R, Piritinol [INN-Spanish], Pyritinolum [INN-Latin], Pyritinol [INN:BAN:DCF], C16H20N2O4S2, EINECS 214-150-1, AK5Q5FZH2R, 3,3'-(Dithiobis(methylene))bis(5-hydroxy-6-methyl-4-pyridinemethanol), 4-Pyridinemethanol, 3,3'-(dithiodimethylene)bis(5-hydroxy-6-methyl-, 4-Pyridinemethanol, 3,3'-[dithiobis(methylene)]bis[5-hydroxy-6-methyl-, W-108702, Piritinolo, Pyritinolum, 3,3'-(Dithiodimethylene)bis(5-hydroxy-6-methyl-4-pyridinemethanol), 4-Pyridinemethanol, 3,3'-(dithiobis(methylene))bis(5-hydroxy-6-methyl-, 5,5'-[Dithiobis(methylene)]bis[4-(hydroxymethyl)-2-methylpyridin-3-ol], 5,5'-Disulfanediylbis(methylene)bis(4-(hydroxymethyl)-2-methylpyridin-3-ol), 5,5'-(Disulfanediylbis(methylene))bis(4-(hydroxymethyl)-2-methylpyridin-3-ol), 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methyl-pyridin-3-ol, 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol, NCGC00166140-01, Pyrithioxine HCl, 5,5'-(disulfanediyldimethanediyl)bis[4-(hydroxymethyl)-2-methylpyridin-3-ol], Pyritinol (INN), Pyrithioxine (JAN), PYRITINOL, Pyrithioxin, AC1L23BB, AC1Q79FZ, MLS004712044, SCHEMBL150551, CHEMBL488093, Pyrithioxin, analytical standard, DTXSID3048362, CHEBI:135554, SIXLXDIJGIWWFU-UHFFFAOYSA-N, HMS3264M15, Pharmakon1600-01505762, Pyridoxine Disulfide / Pyrithioxin, HY-B0910, BBL028281, MFCD00151477, NSC759229, STK801801, ZINC37866091, AKOS005066380, API0003996, CCG-213980, DB13084, MCULE-3036172026, NSC-759229, VA11631, AC-12193, AN-48497, AS-13595, I846, SMR001550535, SBI-0207045.P001, LS-131707, FT-0674240, P2250, D02160, AB00375835_02, A802103, SR-01000872772, SR-01000872772-1, BRD-K82181219-001-01-9, I14-44366, Bis(4-hydroxymethyl-5-hydroxy-6-methyl-3-pyridylmethyl)disulfide, 5,5'-(dithiodimethylene) bis[3-hydroxy-4-hydroxymethyl-2-methylpyridine], 5,5'-(dithiodimethylene)bis[3-hydroxy-4-hydroxymethyl-2-methylpyridine], 3,3 inverted exclamation mark -(dithiodimethylene)bis(5-hydroxy-6-methyl-4-pyridinemethano, 5,5'-[Disulfanediylbis(methylene)]bis[4-(hydroxymethyl)-2-methyl-3-pyridinol], 5-[[5-HYDROXY-4-(HYDROXYMETHYL)-6-METHYL-PYRIDIN-3-YL]METHYLDISULFANYLMETHYL]-4-, 3,3 inverted exclamation mark -(dithiobis(methylene))bis(5-hydroxy-6-methyl-4-pyridinemethano, 3,3 inverted exclamation mark -(dithiobis(methylene))bis(5-hydroxy-6-methyl-4-pyridinemethanol), 4-(hydroxymethyl)-5-[[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyldisulfanyl]methyl]-2-methyl-pyridin-3-ol, 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methyl-3-pyridinol, Encephabol, Enerbol, Piritoxina, Dinerfene, Piriditol, Pyriditol, Life, Pyritinol HCl, Pyridoxinedisulfide, Pyrithioxine [JAN], dipyridoxolyl disulfide, Pyritinol Hydrochloride, Hydrochloride, Pyritinol, Pyritinol dihydrochloride, Pyritioxine hydrochloride, Pyrithioxine hydrochloride, Pyritinol [BAN:DCF:INN], UNII-CFA914331M, C16H20N2O4S2.2ClH, Pyrithioxine hydrochloride [JAN], CID14190, EINECS 233-178-5, C16-H20-N2-O4-S2, CS-4379, CS-O-02114, NSC 526973, C16-H20-N2-O4-S2.2Cl-H, Pyridoxin-5'-disulfid dihydrochlorid hydrat, C(SSCc1cnc(C)c(O)c1CO)c2cnc(C)c(O)c2CO, D011746, Pyridoxin-5'-disulfid dihydrochlorid hydrat [German], bis(4-hydroxymethyl-5-hydroxy-6-methyl-3-pyridylmethyl) disulfide, 4-Pyridinemethanol, 3,3'-(dithiobis(methylene))bis(5-hydroxy-6-methyl- ), 4-Pyridinemethanol, 3,3'-(dithiodimethylene)bis[5-hydroxy-6-methyl-, 3,3'-Dithiobis(methylene)bis(5-hydroxy-6-methyl-4-pyridinemethanol) dihydrochloride, 4-Pyridinemethanol, 3,3'-(dithiodimethylene)bis[5-hydroxy-6-methyl-, dihydrochloride, 4-Pyridinemethanol, 3,3'-[dithiobis(methylene)]bis[5-hydroxy-6-methyl-, dihydrochloride, 10049-83-9,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	368.086g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	368.466g/mol
Monoisotopic Mass	368.086g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	157A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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