VA-111913

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H21ClFN5O2
Molecular Weight	453.897
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1N=CC2=C1NC3=CC(Cl)=CC=C3N(C2)C(=O)C4=CC=C(CNC(=O)C5CC5)C(F)=C4

InChI

InChIKey=VOEZSPDOPDPGSY-UHFFFAOYSA-N

InChI=1S/C23H21ClFN5O2/c1-29-21-16(11-27-29)12-30(20-7-6-17(24)9-19(20)28-21)23(32)14-4-5-15(18(25)8-14)10-26-22(31)13-2-3-13/h4-9,11,13,28H,2-3,10,12H2,1H3,(H,26,31)

HIDE SMILES / InChI

Molecular Formula	C23H21ClFN5O2
Molecular Weight	453.897
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:27:56 GMT 2023` Edited by `admin` on `Sat Dec 16 10:27:56 GMT 2023`
Record UNII	TH612J6Y5B
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VA-111913

Code

English

CYCLOPROPANECARBOXAMIDE, N-((4-((8-CHLORO-4,10-DIHYDRO-1- METHYLPYRAZOLO(3,4-B)(1,5)BENZODIAZEPIN-5(1H)-YL)CARBONYL)-2- FLUOROPHENYL)METHYL)-

Systematic Name

English

N-((4-(8-CHLORO-1-METHYL-4,10-DIHYDROPYRAZOLO(4,3-C)(1,5)BENZODIAZEPINE-5-CARBONYL)-2-FLUORO-PHENYL)METHYL)CYCLOPROPANECARBOXAMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

TH612J6Y5B

Created by admin on Sat Dec 16 10:27:56 GMT 2023 , Edited by admin on Sat Dec 16 10:27:56 GMT 2023

PRIMARY

PUBCHEM

135564707

Created by admin on Sat Dec 16 10:27:56 GMT 2023 , Edited by admin on Sat Dec 16 10:27:56 GMT 2023

PRIMARY

CAS

877856-17-2

Created by admin on Sat Dec 16 10:27:56 GMT 2023 , Edited by admin on Sat Dec 16 10:27:56 GMT 2023

PRIMARY

Related Record Type Details


					813T1H5KZB

VA-111913 TOSYLATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					TH612J6Y5B

VA-111913

ACTIVE MOIETY

Comments:

Company: Vantia Therapeutics Ltd.; Description: Vasopressin 1a (V1a) receptor antagonist; Molecular Target: Vasopressin 1 (V1) receptor; Mechanism of Action: Vasopressin 1 (V1) receptor antagonist; Therapeutic Modality: Small molecule; Latest Stage of Development: Phase II; Standard Indication: Dysmenorrhea; Indication Details: Treat dysmenorrhea