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tetra-O-methyl nordihydroguaiaretic acid

HCID 97616
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
5701-82-6
Standard SMILES
COc1ccc(CC(C)C(C)Cc2ccc(OC)c(OC)c2)cc1OC
InChIKey
ORQFDHFZSMXRLM-UHFFFAOYSA-N
Molecular formula
C22H30O4
Average molar mass
358.5 g/mol
Monoisotopic mass
358.21440943

Names & identifiers

Preferred name
tetra-O-methyl nordihydroguaiaretic acid
IUPAC
4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
English name
FW 358.2
Molecular formula
C22H30O4
Molecular weight
358.47

Names & synonyms

5701-82-6tetra-O-methyl nordihydroguaiaretic acidFW 358.24-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzenetetramethyl Nordihydroguaiaretic AcidTetramethoxynordihydroguaiaretic acidNSC 136955Dimethyldihydroguaiaretic acid1,1'-(2,3-Dimethyl-1,4-butanediyl)bis(3,4-dimethoxybenzene)1,1'-(2,3-dimethylbutane-1,4-diyl)bis(3,4-dimethoxybenzene)meso-1,4-Bis(3,4-dimethoxyphenyl)dimethylbutaneCHEMBL492149
Show more names
4,4'-(2,3-dimethylbutane-1,4-diyl)bis(1,2-dimethoxybenzene)Benzene, 4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxy-1,1-(2,3-Dimethyl-1,4-butanediyl)bis(3,4-dimethoxy benzene)(Nordihydroguaiaretic acid Intermediate)
SCHEMBL2356280SCHEMBL29794162DTXSID10972502ORQFDHFZSMXRLM-UHFFFAOYSA-NBenzene, 1,1'-(2,3-dimethyl-1,4-butanediyl)bis(3,4-dimethoxy-FAA70182MFCD11113155AKOS040744917

Database identifiers

CAS
5701-82-6
PubChem CID
97616
DTXSID
DTXSID10972502
ChEMBL
CHEMBL492149
Nikkaji
J490.487G

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
36.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
26
Formal charge
0
Complexity
352

Physicochemical properties

Melting point
101 · 101-102 °C
Boiling point
458.5 · 458.5±40.0 °C(Predicted)
Density
1.036 · 1.036±0.06 g/cm3(Predicted)
InChI
InChI=1S/C22H30O4/c1-15(11-17-7-9-19(23-3)21(13-17)25-5)16(2)12-18-8-10-20(24-4)22(14-18)26-6/h7-10,13-16H,11-12H2,1-6H3
InChIKey
ORQFDHFZSMXRLM-UHFFFAOYSA-N
SMILES
C1(OC)=CC=C(CC(C)C(C)CC2=CC=C(OC)C(OC)=C2)C=C1OC
FDA UNII
53 YET703F2 · 53YET703F2
NCI Drug Dictionary
terameprocol

Chemistry & industry

Applications

UsesTerameprocol is a semi-synthetic lignan which inhibits the transcription of several inflammatory and oncogenic genes.

Upstream & downstream products

Upstream raw materials

2,3-Butanediol, 1,4-bis(3,4-dimethoxyphenyl)-2,3-dimethyl-heminordihydroguaiaretic acid2,5-Dibromo-3,4-dimethylthiopheneMethyl eugenol1,4-ButanedioneNordihydroguaiaretic acid3,4-DimethoxyphenylacetoneEthanolDimethyl sulfoneIodomethaneEugenol

Suppliers18 total

Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Yiwu Huixian Trading Co., Ltd+undefined86-19158725587 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海鑫科泰生物科技有限公司18043446684 · [email protected]
斯派螺(武汉)药物研发有限公司[email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
上海哲研生物科技有限公司18017610038 · [email protected]
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
浙江联硕生物科技有限公司18616526224 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
河南科弘生物科技有限公司0371-55969461 18638736641 · [email protected]
上海抚生实业有限公司021-52961053 13524666654 · [email protected]

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Compound notes

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