Tiagabine structure, CAS 115103-54-3

Tiagabine

CAS Number115103-54-3

Synonyms(-)-(R)-1-[4,4-Bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid hydrochloride; (R)-(-)-N-(4,4-di(3-methylthien-2-yl)but-3-enyl)nipecotic acid; acide (3R)-1-[4,4-bis(3-méthylthiophén-2-yl)but-3-én-1-yl]pipéridine-3-carboxylique chlorhydrate; NO-05-0328; Gabitril / NNC 05-328; Abbott-70569.1; (R)-N-[4,4-di-(3-methylthien-2-yl)but-3-enyl] nipecotic acid hydrochloride; (3R)-1-[4,4-Bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride (1:1); (3R)-1-[4,4-Bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidin-3-carbonsäurehydrochlorid; TIGABINE; (R)-1-[4,4-bis(3-methyl-thien-2-yl)-3-butenyl]-3-piperidinecarboxylic acid; (3R)-1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)-3-piperidinecarboxylic acid hydrochloride; (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-car

Molecular FormulaC20H25O2N1S2

Molecular Weight375.56

Purity99%

Density1.208 g/cm3

Boiling Point568ºC at 760 mmHg

Melting Point192oC dec.

Flash Point

AppearanceWhite to off-white crystalline solid

EINECS

MSDSChineseEnglish

Symbol

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Cat. No.: 2A-9012701 Purity: 99%
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Chemical & Physical Properties
CAS Number115103-54-3
Catalog No.2A-9012701
Chinese Name噻加宾
Synonyms(-)-(R)-1-[4,4-Bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid hydrochloride; (R)-(-)-N-(4,4-di(3-methylthien-2-yl)but-3-enyl)nipecotic acid; acide (3R)-1-[4,4-bis(3-méthylthiophén-2-yl)but-3-én-1-yl]pipéridine-3-carboxylique chlorhydrate; NO-05-0328; Gabitril / NNC 05-328; Abbott-70569.1; (R)-N-[4,4-di-(3-methylthien-2-yl)but-3-enyl] nipecotic acid hydrochloride; (3R)-1-[4,4-Bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride (1:1); (3R)-1-[4,4-Bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidin-3-carbonsäurehydrochlorid; TIGABINE; (R)-1-[4,4-bis(3-methyl-thien-2-yl)-3-butenyl]-3-piperidinecarboxylic acid; (3R)-1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)-3-piperidinecarboxylic acid hydrochloride; (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-car
Molecular FormulaC20H25O2N1S2
Molecular Weight375.56
Purity99
Density1.208 g/cm3
Boiling Point568ºC at 760 mmHg
Melting Point192oC dec.
AppearanceWhite to off-white crystalline solid
Storage Condition-20℃
ApplicationTiagabine (NO328) is a GABA reabsorption inhibitor.
MDL NumberMFCD00865317
SMILESCc1ccsc1C(=CCCN1CCCC(C(=O)O)C1)c1sccc1C
InChIInChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
InChI KeyPBJUNZJWGZTSKL-MRXNPFEDSA-N
MSDSmsds/12701_1_115103_54_3.pdf
Transport InfoProduct Name: Tigabine Hydrochloride
Location25 days
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