AG003TAG

500-38-9 | Nordihydroguaiaretic acid

AG003TAG

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CAS Number	500-38-9
Catalog Number	AG003TAG(AGN-PC-075GS5)
Chemical Name	Nordihydroguaiaretic acid
EC Number	207-903-0
IUPAC Name	4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
InChI	InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
InChI Key	HCZKYJDFEPMADG-UHFFFAOYSA-N
MDL Number	MFCD00002206
Molecular Formula	C18H22O4
Molecular Weight	302.3649
SMILES	CC(CC1=CC=C(O)C(O)=C1)C(C)CC2=CC=C(O)C(O)=C2
Synonyms	(R*,S*)-4,4'-(2,3-Dimethylbutane-1,4-diyl)bispyrocatechol, Acid, meso-Nordihydroguaiaretic, Actinex, Dihydronorguaiaretic Acid, Masoprocol, meso Nordihydroguaiaretic Acid, meso-Nordihydroguaiaretic Acid, Nordihydroguaiaretic Acid, Nordihydroguaiaretic Acid, (R*,S*)-Isomer, NORDIHYDROGUAIARETIC ACID, 500-38-9, NDGA, Dihydronorguaiaretic acid, Norhydroguaiaretic acid, Nordihydroguairaretic acid, Norguaiaretic acid, dihydro-, 1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-, NSC 4291, Dinorguaiaretic acid, dihydro-, 4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol, 2,3-Bis(3,4-dihydroxyphenylmethyl)butane, 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol, 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(pyrocatechol), Nordihydroguaiaretic acid (unspecified), CCRIS 1399, nordihydroguaiaretic acid (ndga), 1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane, nordihydroguaretic acid, Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-, NDGA, Larrea divaricata, CHEMBL52, EINECS 207-903-0, MFCD00002206, beta,gamma-Dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane, NSC 682984, Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-, AI3-23059, MLS000069451, CHEBI:7625, C18H22O4, NSC4291, HCZKYJDFEPMADG-UHFFFAOYSA-N, 2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane, NSC682984, 4,4'-(2,3-dimethylbutane-1,4-diyl)dibenzene-1,2-diol, 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol), SMR000059049, N-8500, Nordihydroguaiaretic acid, 95%, 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis-1,2-benzenediol, 1,2-Benzenediol,4,4'-(2,3-dimethyl-1,4-butanediyl)bis-, 4,4'-[2,3-Dimethyl-1,4-butanediyl]-bis[1,2-benzenediol, nordihydroguaiaretate, 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]benzene-1,2-diol, Norguaiaretic acid, dihydro, 4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol, NCGC00015741-06, 103185-28-0, AiE/AThorn.O, 2,3-bis(3,4-dihydroxybenzyl)butane, LOX inhibitor, N/A, nordihydroguaiareticacid, nordihydroguiaretic acid, Spectrum_001146, nordihydroguaiaretic-acid, nordihydroguajaretic acid, AC1L1IDM, AC1Q1QYW, AC1Q7ACP, Nordihydroguaiaretic Acid, (R*,S*)-Isomer, Spectrum5_000735, DSSTox_CID_2437, cid_4534, DSSTox_RID_76590, DSSTox_GSID_22437, Oprea1_368609, KBioGR_002349, KBioSS_001626, KBioSS_002352, MLS002153435, MLS006011710, DivK1c_000999, SCHEMBL135976, ACMC-20m628, GTPL4265, 1,2-Benzenediol, 4,4'-[(2R,3R)-2,3-dimethyl-1,4-butanediyl]bis-, 1,2-Benzenediol, 4,4'-[(2R,3S)-2,3-dimethyl-1,4-butanediyl]bis-, rel-, DTXSID5022437, BDBM32020, CTK4J1997, HCZKYJDFEPMADG-UHFFFAOYSA-, HMS503G19, KBio1_000999, KBio2_001626, KBio2_002349, KBio2_004194, KBio2_004917, KBio2_006762, KBio2_007485, KBio3_002828, cMAP_000026, NINDS_000999, HMS2232L16, HMS3370G10, HMS3649M15, BCP08590, HY-N0198, NSC-4291, Tox21_302171, CN0046, SBB005930, AKOS003367978, CCG-207935, CS-1431, INB0000262, MCULE-7119316381, NSC-682984, IDI1_000999, SMP2_000272, 4,3-Dimethyltetramethylene)dipyrocatechol, NCGC00015741-04, NCGC00015741-05, NCGC00015741-08, NCGC00089785-02, NCGC00089785-03, NCGC00255380-01, AC-24202, AN-45355, BC219536, CAS-500-38-9, NCI60_003992, ST056220, WLN: QR BQ D1Y1&Y1&1R CQ DQ, LS-136429, D0800, FT-0606781, Nordihydroguaiaretic acid, >=97.0% (HPLC), .beta.,.delta.-bis(3,4-dihydroxyphenyl)butane, 4,3-Dimethyl-1,4-butanediyl)bis(pyrocatechol), C10719, W-5032, 1, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-, Pyrocatechol,4'-(2,3-dimethyltetramethylene)di-, 500N389, Butane,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-, SR-01000003007, SR-01000003007-2, I01-10537, 4,4'-(2,3 Dimethyl-1,4-butanediyl)bis(1,2-benzenediol), PYROCATECHOL,4'- (2,3-DIEMTHYLTETRAMETHYLENE) DI-, 4,4'-(2,3-dimethylbutane-1,4-diyl)bis(benzene-1,2-diol), 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyrocatechol, .beta.,.gamma.-Dimethyl-.alpha.,.delta.-bis(3,4-dihydroxyphenyl)butane, 4,4'-(2,3-dimethyltetramethylene)dipyrocatechol (Nordihydroguaiaretic acid), 4-[4-[3,4-bis(oxidanyl)phenyl]-2,3-dimethyl-butyl]benzene-1,2-diol, Nordihydroguaiaretic acid, >=90% (HPLC), from Larrea divaricata (creosote bush), 1,4-E<<(3,4- paragraph signthornoC+/-(1/2)>>u)-2,3- paragraph signthorn(1/4)x>>u paragraph sign inverted exclamation markIe, 4,4 inverted exclamation marka-(2,3- paragraph signthorn(1/4)x>>uEANC(1/4)x>>u) paragraph signthornAU+/-(1/2) paragraph signthorn.O, InChI=1/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3, Masoprocol, Actinex, Masoprocolum, meso-NDGA, Actinex (TN), meso-Nordihydroguaiaretic acid, Masoprocol (USAN/INN), Masoprocol [USAN:INN], Masoprocolum [INN-Latin], D0U3YB, UNII-7PZ73W4ZNR, meso Nordihydroguaiaretic Acid, CHX-100, Acid, meso-Nordihydroguaiaretic, Nordihydroguaiaretic acid, DL-, CHX 100, CID4534, BDBM166684, TNP00263, Nordihydroguaiaretic acid, (+/-)-, AR-1D2260, Nordihydroguaiaretic acid (meso-form), ACN-035826, C18-H22-O4, SC-19773, Nordihydroguaiaretic acid, 95% - 1G 1g, NORDIHYDROGUAIARETIC ACID--PROHIBITED, N 5023, 27686-84-6, D009637, (R*,S*)-4,4'-(2,3-Dimethylbutane-1,4-diyl)bispyrocatechol, 4, 4'- (2, 3- dimethyltetramethylene)dipyrocatechol, meso-4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol, Nordihydroguaiaretic acid from Larrea divaricata (creosote bush), 1,2-Benzenediol, 4,4'-((2R,3R)-2,3-dimethyl-1,4-butanediyl)bis-, rel-, 1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-, (R*,R*)-, 1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-, (R*,S*)-, 519-34-6,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.152g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	302.37g/mol
Monoisotopic Mass	302.152g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	80.9A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

Lot Number