AG0032AV

126-07-8 | (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione

AG0032AV

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CAS Number	126-07-8
Catalog Number	AG0032AV(AGN-PC-0PI7R7)
Chemical Name	(2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
EC Number	204-767-4
IUPAC Name	(2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
InChI	InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1
InChI Key	DDUHZTYCFQRHIY-RBHXEPJQSA-N
MDL Number	MFCD00082343
Molecular Formula	C17H17ClO6
Molecular Weight	352.7663
NSC Number	755822
SMILES	O=C1[C@@]2(OC=3C1=C(OC)C=C(OC)C3Cl)C(OC)=CC(=O)C[C@H]2C
UNII	32HRV3E3D5
Synonyms	Fulvicin U F, Fulvicin-U-F, FulvicinUF, Grifulvin V, Gris PEG, Gris-PEG, Grisactin, Grisefuline, Griseofulvin, GrisPEG, griseofulvin, (+)-Griseofulvin, 126-07-8, Amudane, Fulvicin, Grisactin, Grisefuline, Griseofulvina, Griseofulvinum, Griseofulvine, Grizeofulvin, Grifulvin, Grisofulvin, Grisovin, Spirofulvin, Fulcin, Grysio, Lamoryl, Likuden, Poncyl, Curling factor, Grifulvin V, Delmofulvina, Fulvistatin, Griscofulvin, Fulcine, Fulvina, Fulvinil, Fungivin, Greosin, Gresfeed, Grifulin, Griseomix, Grisetin, Guservin, Murfulvin, Gricin, Griseo, Grisactin Ultra, Neo-Fulcin, Biogrisin-FP, Fulvican grisactin, Griseofulvin forte, Griseofulvin-forte, Fulvicin P/G, Fulvicin-P/G, Fulvicin-U/F, Xuanjing, Griseofulvine [INN-French], Griseofulvinum [INN-Latin], Griseofulvina [INN-Spanish], GRISEOFULVIN, MICROCRYSTALLINE, Gris-PEG, ULTRAGRIS-165, ULTRAGRIS-330, USAF SC-2, Fulvicin-U/F (Veterinary), GRISEOFULVIN, ULTRAMICROCRYSTALLINE, Fulvicin Bolus (Veterinary), FULVICIN P/G 165, FULVICIN P/G 330, Caswell No. 471B, UNII-32HRV3E3D5, MFCD00082343, C17H17ClO6, CCRIS 320, HSDB 1722, GRISEOFULVIN, ULTRAMICROSIZE, EINECS 204-767-4, NSC 34533, EPA Pesticide Chemical Code 471400, BRN 0095226, Griseostatin, Likunden, Sporostatin xan, AI3-51015, 32HRV3E3D5, Grisovin FP, 7-Chloro-4,6,2'-trimethoxy-6'-methylgris-2'-en-3,4'-dione, CHEBI:27779, (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione, NCGC00091120-01, CPD000718755, DSSTox_CID_674, Fulvicin-U-F, (+)-Griseofulvin, 97%, 7-Chloro-2',4,6-trimethoxy-6'beta-methylspiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-Chloro-4,6-dimethoxycoumaran-3-one-2-spiro-1'-(2'-methoxy-6'-methylcyclohex-2'-en-4'-one), DSSTox_RID_75725, DSSTox_GSID_20674, (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione, (2S-trans)-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, Spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (2S-trans)-, Fulvicin Bolus, Fulvidex, Grise ostatin, curling fact or, Grisactin V, Spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1'S-trans)-, Fulvicin U/F, (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione, SMR000718755, Griseofulvin microsize, SR-05000001535, Griseofulvin [USAN:INN:BAN:JAN], Griseofulvin and Alpha-IFN, GRISEOFULVIN, MICROSIZE, fulvicin UF, Griseofulvin,(S), Griseofulvin [USP:INN:BAN:JAN], (1'S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione, (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione, (2S-trans)-7-chloro-2',4,6-trimethoxy-6'-methylspiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione, Prestwick_247, Grisactin V (TN), Gris-peg (TN), PubChem17619, Spectrum_000816, SpecPlus_000336, AC1L9AMF, Prestwick3_000226, Spectrum2_000213, Spectrum3_000161, Spectrum4_000927, Spectrum5_000648, Griseofulvin [USP:INN], CHEMBL562, SCHEMBL21988, BSPBio_000271, BSPBio_001621, KBioGR_001454, KBioSS_001296, SPECTRUM200046, 5-18-05-00150 (Beilstein Handbook Reference), MLS001304062, MLS002152905, MLS002154239, BIDD:GT0024, DivK1c_000154, DivK1c_006432, Griseofulvin (JAN/USP/INN), SPBio_000225, AC1Q496M, BPBio1_000299, MEGxm0_000184, DTXSID8020674, ACon0_000953, ACon1_001843, BDBM31775, Fulvicin-U/F Powder and Tablets, HMS500H16, KBio1_000154, KBio1_001376, KBio2_001296, KBio2_003864, KBio2_006432, KBio3_001121, DDUHZTYCFQRHIY-RBHXEPJQSA-N, NINDS_000154, HMS1923E09, HMS2091A03, HMS2095N13, HMS2235F13, HMS3259D05, HMS3712N13, interacts with polymerized microtubules and associated proteins, Pharmakon1600-00200046, ZINC622123, Tox21_111087, Tox21_202235, Tox21_303005, CCG-38416, LMPK13060001, LS-702, NSC755822, s4071, AKOS015896380, Tox21_111087_1, CS-3426, DB00400, MCULE-1983595404, NC00616, NE11198, NSC-755822, SDCCGMLS-0066450.P001, IDI1_000154, NCGC00091120-02, NCGC00091120-03, NCGC00091120-04, NCGC00091120-05, NCGC00091120-06, NCGC00091120-07, NCGC00091120-08, NCGC00091120-09, NCGC00091120-13, NCGC00256353-01, NCGC00259784-01, (1'S,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, (1'S-trans)- 7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-cyclohex-2'-ene)-3,4'-dione, (2S)-trans-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2[3H],1'-[2]cyclohexene)-3,4'-dione, AN-22970, AS-13736, HY-17583, M542, SAM002548953, SAM002589940, SC-13647, AB0015270, AB1009300, FT-0082593, FT-0603329, G0384, EN300-52615, BIM-0051396.0001, C06686, D00209, J10209, AB00052005_07, Griseofulvin, VETRANAL(TM), analytical standard, SR-01000837512, Griseofulvin, Antibiotic for Culture Media Use Only, Q-201178, SR-01000837512-2, SR-05000001535-1, SR-05000001535-3, SR-05000001535-4, BRD-K08273968-001-05-9, BRD-K08273968-001-09-1, BRD-K08273968-001-19-0, Z1258578352, Griseofulvin, British Pharmacopoeia (BP) Reference Standard, Griseofulvin, from Penicillium griseofulvum, 97.0-102.0%, Griseofulvin, European Pharmacopoeia (EP) Reference Standard, Griseofulvin, United States Pharmacopeia (USP) Reference Standard, 7-chloro-2',4,6-trimethoxy-6'-beta-spiro[benzofuran-2(3H),1'-(2)cyclohexene-3,4'-dione], 7-chloro-2',4,6-trimethoxy-6'-methylspiro[benzofuran-2(3H),1'-cyclohexene]-3,4'-dione, Griseofulvin Permeability Diameter, United States Pharmacopeia (USP) Reference Standard, Griseofulvin, Pharmaceutical Secondary Standard; Certified Reference Material, (2S)-trans-7-Chloro-2 inverted exclamation marka,4,6-trimethoxy-6 inverted exclamation marka-methylspiro(benzofuran-2[3H],1 inverted exclamation marka-[2]cyclohexene)-3,4 inverted exclamation marka-dione; Griseofulvin, (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione, (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methylbenzofuran-2-spiro-1'-cyclohex-2'-ene-3,4'-dione, 2884-22-2, 7-chloro-2',4,6-trimethoxy-6'-beta-spiro[benzofuran-2(3H ),1'-(2)cyclohexene-3,4'-dione], 7-Chloro-2',4,6-trimethoxy-6'-methylspiro[benzofuran-2(3H),1',- [2]cyclohexene]-3,4'-dione, 7-chloro-4,6-dimethox ycoumaran-3-one-2-spiro-1'-(2'-methoxy)-6'-methylcyclohex-2'-en-4'-one, 7-chloro-4,6-dimethoxycoumaran-3-one-2-spiro-1'-(2'-methoxy)-6'-methylcyclohex-2'-en-4'-one, 7-Chloro-4,6-dimethoxycoumaran-3-one-2-spiro-1-(2'-methoxy-6'-methyl cyclohex-2'-en-4'-one), Spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy- 6'-beta-methyl-, Spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-beta-methyl-, Spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2'4,6-trimethoxy-6'-beta-methyl-, Sporostatin, FulvicinUF, grisefulin, Polygris, Fulvine, Neocid, GrisPEG, Fulvidex (Veterinary), Fulvicin U F, Mixture Name, Gris PEG, Grisovin (TN), GRISEOFULVIN POWDER, D0C1SF, C17-H17-Cl-O6, NSC34533, Griseofulvin [USAN:BAN:INN:JAN], CID441140, ACN-048200, CB11571, CS-O-30933, ( )-Griseofulvin, 97% - 25G 25g, CAS-126-07-8, NP-002466, ( )-Griseofulvin, 99.6% - 25G 25g, B3680, D006118, (1'S,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-(2)cyclohexene)-(ene)-3,4'-dione3,4'-dione, (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohexane]-1',3-dione, 1'S-trans)- 7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-cyclohex-2'-ene)-3,4'-dione, Espiro[benzofurano-2(3H),1'-[2]ciclohexeno]-3,4'-diona, 7-cloro-2',4,6-trimetoxi-6'-metil-, (1'S,6'R)-, GRE, Spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1'S,6'R)-, Spiro[benzofuran-2(3H),1'- [2]cyclohexene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1'S-trans)-, Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1'S,6'R)-, Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1'S-trans)-,

Complexity	575
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	352.071g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	352.767g/mol
Monoisotopic Mass	352.071g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	71.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335-H350-H360
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number