AG00IACU

58186-27-9 | 2-(10-hydroxydecyl)-6-methoxy-3-methyl-5-(trideuteriomethoxy)cyclohexa-2,5-diene-1,4-dione

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CAS Number	58186-27-9
Catalog Number	AG00IACU(AGN-PC-07Y4NT)
Chemical Name	2-(10-hydroxydecyl)-6-methoxy-3-methyl-5-(trideuteriomethoxy)cyclohexa-2,5-diene-1,4-dione
IUPAC Name	2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
InChI	InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3
InChI Key	JGPMMRGNQUBGND-UHFFFAOYSA-N
MDL Number	MFCD00274552
Molecular Formula	C19H30O5
Molecular Weight	338.4385
NSC Number	759228
SMILES	O=C1C(CCCCCCCCCCO)=C(C)C(C(OC)=C1OC)=O
UNII	HB6PN45W4J
Synonyms	CV 2619, CV-2619, hydroxydecyl ubiquinone, idebenone, noben, idebenone, 58186-27-9, Idebenona, Idebenonum, CV 2619, CV-2619, Idebenonum [Latin], Idebenona [Spanish], Idebenone [INN:JAN], 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, UNII-HB6PN45W4J, BRN 2001459, 6-(10-Hydroxydecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinone, HB6PN45W4J, 2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone, CHEBI:31687, JGPMMRGNQUBGND-UHFFFAOYSA-N, 2,5-Cyclohexadiene-1,4-dione, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-, NCGC00160514-01, 2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-p-benzoquinone, AK161748, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylbenzo-1,4-quinone, 5,6-DIMETHOXY-2-(10-HYDROXYDECYL)-3-METHYL-1,4-BENZOQUINONE, 2,5-Cyclohexadiene-1,4-dione, 5,6-dimethoxy-2-(10-hydroxydecyl)-3-methyl-, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione, DSSTox_CID_20678, DSSTox_RID_79536, DSSTox_GSID_40678, 2,3-dimethoxy-5-methyl-6-(10'-hydroxydecyl)-1,4-benzoquinone, 2,3-Dimethoxy-6-(10-hydroxydecyl)-5-methyl-1,4-benzoquinone, SMR000466364, CAS-58186-27-9, SR-01000759378, Cerestabon, Sovrima, Catena, Mnesis, Avan, Raxone (TN), PubChem13642, Idebenone (JAN/INN), AC1L1GHK, SNT-MC17, SCHEMBL28320, MLS000759487, MLS001032035, MLS001424002, MLS006011882, Idebenone, analytical standard, CHEMBL252556, QSA-10, DTXSID0040678, Idebenone, >=98% (HPLC), CTK8A4139, FR114, HMS2051O06, HMS2089D08, HMS3393O06, HMS3656K22, HMS3713A10, Pharmakon1600-01505755, ALBB-027258, BCP09116, HY-N0303, KS-00000GF0, STR09227, ZINC1542890, ZX-AN025767, ZX-AT014455, Tox21_111864, BBL025842, BG0501, MFCD00274552, NSC759228, s2605, STK801942, AKOS005622577, Tox21_111864_1, AC-4337, AN-6658, CCG-100846, CS-2599, KS-5193, MCULE-6391829243, NC00096, NSC-759228, SB19130, NCGC00160514-02, NCGC00160514-03, BC201804, CC-29465, CPD000466364, LS-56276, SAM001246700, SC-13776, SBI-0207024.P001, AB0010667, AB2000694, FT-0617205, I0848, ST24047397, SW219495-1, A11707, D01750, J10031, M-1155, AB00639997-04, AB00639997-06, AB00639997_07, AB00639997_08, 186I279, A-68500, A831776, C-20281, I06-0362, SR-01000759378-4, SR-01000759378-5, SR-01000759378-6, BRD-K37516142-001-01-4, 2,3-Dimethoxy-6-(10-hydroxydecyl)-5-methylbenzoquinone, 2,3-Dimethoxy-6-(10-hydroxydecyl)-5-methyl-1,4benzoquinone, 2,3-dimethoxy-5-methyl-6-(10-oxidanyldecyl)cyclohexa-2,5-diene-1,4-dione, 2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione, 2-(10-hydroxydecyl)-6-methoxy-3-methyl-5-(trideuteriomethoxy)cyclohexa-2,5-diene-1,4-dione, Raxone, daruma, noben, null, hydroxydecyl ubiquinone, D0MM8N, C19H30O5, CID3686, ACN-053787, C19-H30-O5, CS-O-01648, B2103, C036619, 6-(10-hydroxydecyl)-2,3-dimethoxy-5-methyl-p-benzoquinone,

Complexity	502
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	338.209g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	338.444g/mol
Monoisotopic Mass	338.209g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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