CTP-354

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H19F2N7O
Molecular Weight	408.4527
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[2H]C([2H])([2H])C(C1=CC2=NN=C(N2N=C1OCC3=NC=NN3C)C4=CC(F)=CC=C4F)(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChIKey=BQDUNOMMYOKHEP-GQALSZNTSA-N

InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3/i1D3,2D3,3D3

HIDE SMILES / InChI

Molecular Formula	C19H19F2N7O
Molecular Weight	408.4527
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:38:24 GMT 2023` Edited by `admin` on `Sat Dec 16 11:38:24 GMT 2023`
Record UNII	7ZNK1YQE2I
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CTP-354

Code

English

1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE, 3-(2,5-DIFLUOROPHENYL)-7-(1,1-DI(METHYL-D3)ETHYL-2,2,2-D3)-6-((1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-

Systematic Name

English

CTP354

Code

English

C-21191

Code

English

3-(2,5-DIFLUOROPHENYL)-7-(1,1-DI(METHYL-D3)ETHYL-2,2,2-D3)-6-((1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE

Systematic Name

English

Code System Code Type Description

SMS_ID

300000029671

Created by admin on Sat Dec 16 11:38:24 GMT 2023 , Edited by admin on Sat Dec 16 11:38:24 GMT 2023

PRIMARY

FDA UNII

7ZNK1YQE2I

Created by admin on Sat Dec 16 11:38:24 GMT 2023 , Edited by admin on Sat Dec 16 11:38:24 GMT 2023

PRIMARY

CAS

1213669-91-0

Created by admin on Sat Dec 16 11:38:24 GMT 2023 , Edited by admin on Sat Dec 16 11:38:24 GMT 2023

PRIMARY

PUBCHEM

46183193

Created by admin on Sat Dec 16 11:38:24 GMT 2023 , Edited by admin on Sat Dec 16 11:38:24 GMT 2023

PRIMARY

Related Record Type Details


					8CZO0970G3

L-838417

NON-LABELED -> LABELED

Amount:


					VZ6S8R3HX8

CTP-354 hydrate

SOLVATE->ANHYDROUS

Amount:

Related Record Type Details


					7ZNK1YQE2I

CTP-354

ACTIVE MOIETY

Comments:

Originator: Concert Pharmaceuticals; Class: Analgesic, Antispastic, Fluorobenzene, Organic deuterium compound, Pyridazine, Small molecule, Triazole; Mechanism of Action: GABA A receptor modulator; Orphan Drug Status: No; On Fast track: No; New Molecular Entity: Yes; Highest Development Phase: Discontinued for Muscle spasticity, Neuropathic pain; Most Recent Events: 01 Jan 2015 Suspended - Phase-I for Muscle spasticity and Neuropathic pain (In volunteers) in USA (PO), 13 Oct 2014 Adverse events & pharmacokinetics data from a phase I trial in Healthy volunteers presented at the 139th Annual Meeting of the American Neurological Association (ANA-2014), 01 Oct 2014 Concert Pharmaceuticals completes a phase I trial in Healthy volunteers

Amount: