Trimebutine
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Product Description
Product
Trimebutine
CAS
39133-31-8
Formula
C22H29NO5
Synonym
TRIMEBUTINE; trimebutine free base; Trimebutine hydrochloride; TRIMEBUTINE3.4.5-TRIMETHOXYBENZOATE,-2'-PHENYL-2'-DIMETHYLAMINO-N-BUTYL; Trimebutino; Trimebutino [INN-Spanish]; Trimebutinum; Trimebutinum [INN-Latin]; UNII-QZ1OJ92E5R; 2-Dimethylamino-2-phenylbutyl 3,4,5-trimethoxybenzoat; 2'-PHENYL-2'-DIMETHYLAMINO-N-BUTYL-3',4',5'-TRIMETHOXYBENZOATE; 3,4,5-TRIMETHOXYBENZOATE,-2'-PHENYL-2'-DIMETHYLAMINO-N-BUTYL; 3,4,5-Trimethoxybenzoic acid 2-(dimethylamino)-2-phenylbutyl ester; 3,4,5-TRIMETHOXYBENZOIC ACID 2-[DIMETHYLAMINO]-2-PHENYLBUTYL ESTER; Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester; beta-(Dimethylamino)-beta-ethylphenethyl alcohol 3,4,5-trimethoxybenzoate (ester); EINECS 254-309-2; TRIMEBUTIN
Typical Product Specifications
Molecular weight
387.47
EINECS
254-309-2
SMILES
c1([C@@](COC(c2cc(c(OC)c(c2)OC)OC)=O)(N(C)C)CC)ccccc1
InChI
LORDFXWUHHSAQU-UHFFFAOYSA-N
InChIKey
1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3
log P (octanol-water)
3.620
Atmospheric OH Rate Constant
1.25E-10 cm3/molecule-sec
Melting Point
79 ° C
Storage Temperature
2-8°C
Class
Industry
Trimebutine
Product Description
Product
Trimebutine
CAS
39133-31-8
Formula
C22H29NO5
Synonym
TRIMEBUTINE; trimebutine free base; Trimebutine hydrochloride; TRIMEBUTINE3.4.5-TRIMETHOXYBENZOATE,-2'-PHENYL-2'-DIMETHYLAMINO-N-BUTYL; Trimebutino; Trimebutino [INN-Spanish]; Trimebutinum; Trimebutinum [INN-Latin]; UNII-QZ1OJ92E5R; 2-Dimethylamino-2-phenylbutyl 3,4,5-trimethoxybenzoat; 2'-PHENYL-2'-DIMETHYLAMINO-N-BUTYL-3',4',5'-TRIMETHOXYBENZOATE; 3,4,5-TRIMETHOXYBENZOATE,-2'-PHENYL-2'-DIMETHYLAMINO-N-BUTYL; 3,4,5-Trimethoxybenzoic acid 2-(dimethylamino)-2-phenylbutyl ester; 3,4,5-TRIMETHOXYBENZOIC ACID 2-[DIMETHYLAMINO]-2-PHENYLBUTYL ESTER; Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester; beta-(Dimethylamino)-beta-ethylphenethyl alcohol 3,4,5-trimethoxybenzoate (ester); EINECS 254-309-2; TRIMEBUTIN
Typical Product Specifications
Molecular weight
387.47
EINECS
254-309-2
SMILES
c1([C@@](COC(c2cc(c(OC)c(c2)OC)OC)=O)(N(C)C)CC)ccccc1
InChI
LORDFXWUHHSAQU-UHFFFAOYSA-N
InChIKey
1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3
log P (octanol-water)
3.620
Atmospheric OH Rate Constant
1.25E-10 cm3/molecule-sec
Melting Point
79 ° C
Storage Temperature
2-8°C
Class
Industry
