Tiagabine | CAS No. 115103-54-3

Basic Information

CAS Number

115103-54-3

Molecular Formula

C20H25NO2S2

Molecular Weight

375.56 g/mol

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Basic Physical Properties

Melting Point

192oC dec.

Boiling Point

568°C at 760 mmHg

SMILES

CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C

InChI

InChI=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

InChIKey

PBJUNZJWGZTSKL-MRXNPFEDSA-N

LogP

5.044840000000004

Topological Polar Surface Area

40.540000000000006 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

474

Classification & Uses

Chemical Classification

Pharmaceutical Products APIs & Intermediates Intermediates

Safety Information

View Safety Information

Hazard Statement

H315-H319-H335

Synonyms & References

English

GTPL4685
Tiagabine [INN:BAN]
1-[4,4-Bis-(3-methyl-4,5-dihydro-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid
HY-B0696
(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid
BDBM50039251
D08588
DTXCID503663
DTXSID5023663
Tiagabinum [INN-Latin]
Gabatril
NCGC00164626-01
N03AG06
HSDB 7527
TIAGABINE [WHO-DD]
C07503
Gabitril
NO 050328
(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid
(R)-(-)-1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)nipecotic acid
1006863-69-9
(R)-(-)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid
(R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylic acid hydrochloride
(R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylic acid
NO 328
Gabitril (TN)
1-[4,4-Bis-(3-methyl-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid; hydrochloride
Tiagabina
BDBM50368628
(3R)-1-(4,4-BIS(3-METHYL-2-THIENYL)-3-BUTEN-1-YL)-3-PIPERIDINECARBOXYLIC ACID
AC-7048
s4675
NNC-050328 FREE BASE
NO-050328 FREE BASE
3-Piperidinecarboxylic acid, 1-[4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl]-, (3R)-
ABBOTT-70569-1
(-)-(R)-1-(4,4-Bis(3-methyl-2-thienyl)-3-butenyl)nipecotic acid
TIAGABINE [MI]
(-)-(R)-1-[4,4-Bis(3-methyl-2-thienyl)-3butenyl]nipecotic acid hydrochloride
AMY22648
CHEBI:9586
Z80I64HMNP
Tiagabine (INN)
TIAGABINE [VANDF]
GTPL4818
(S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylic acid
CHEMBL1027
NS00001014
NO050328
HMS3885J16
CCG-268358
TIAGABINE [HSDB]
PBJUNZJWGZTSKL-MRXNPFEDSA-N
(-)-(r)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid
115103-54-3
Q907219
Tiagabine [INN]
(3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid
(R)-1-[4,4-Bis-(3-methyl-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid; hydrochloride
Tiagabina [INN-Spanish]
ABBOTT-705691 FREE BASE
NO328
(R)-1-(4,4-Bis(3-methylthiophen-2-yl)but-3-en-1-yl)piperidine-3-carboxylic acid
(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid; Gabitril
DB00906
[3H]tiagabine
(3R)-1-
3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl)-, (3R)-
(-)-(R)-1-
Abbott-70569
(R)-1-[4,4-Bis-(3-methyl-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid
BIDD:GT0018
Tiagabinum (INN-Latin)
EN300-222195
(3R)-1-(4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl)piperidine-3-carboxylic acid
ABBOTT-70569 FREE BASE
tiagabine
Tiagabinum
(R)-Tiagabine
TGB
UNII-Z80I64HMNP
SCHEMBL34653
A-70569-1
Tiagabina (INN-Spanish)
ABT-569 FREE BASE
3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)-, (R)-
BRD-K60160658-003-08-8
(r)-n-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]nipecotic acid
AKOS016011165
Tiagabine
TIAGABINE, HYDROCHLORIDE
(R)-(-)-N-(4,4-di(3-methylthien-2-yl)but-3-enyl)nipecotic acid
(R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid
(R)-1-[4,4-bis(3-methyl-thien-2-yl)-3-butenyl]-3-piperidinecarboxylic acid
(R)-N-[4,4-di-(3-methylthien-2-yl)but-3-enyl] nipecotic acid hydrochloride
4-bis(3-methyl-2-thienyl)-3-butenyl)-1-((r)-3-piperidinecarboxylicaci
NNC 05-328
NO-05-0328
no328
TIGABINE
(3R)-1-[4,4-Bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid
Tiagabin
nnc-05-0328
NNC-05-0328：A-70569
Gabitril / NNC 05-328
Tiagabine 145821-59-6 /

MDL_Number

MFCD00865317

CAS Number

115103-54-3

Supplier Information

Supplier Name	Member Level	Authentication Status	Main Category	MOQ	Action
China - Shanghai Mofu Medicine Technology Co., Ltd.
China - Hangzhou Yaorieyicheng Biopharmaceutical Co., Ltd.
China - Wuhan Inno Pharmaceutical Technology Co., Ltd.
China - Hubei Nona Technology Co., Ltd.
China - Anhui Xinlong Chemical Industry Co., Ltd.
Germany - Schwedes + Schulze Schüttguttechnik GmbH
China - Beijing Dongfang Baker Co., Ltd.
Austria - TIGER Coatings GmbH & Co. KG