SRX-251

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H48F3N5O5
Molecular Weight	771.8669
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(CC1=CC=CC(=C1)C(F)(F)F)C(=O)[C@@H](CC(=O)N2CCC(CC2)N3CCCCC3)N4[C@H](\C=C\C5=CC=CC=C5)[C@H](N6[C@H](COC6=O)C7=CC=CC=C7)C4=O

InChI

InChIKey=GOQPVIZMGXUXOL-GRLAPFOSSA-N

InChI=1S/C43H48F3N5O5/c1-47(28-31-14-11-17-33(26-31)43(44,45)46)40(53)36(27-38(52)49-24-20-34(21-25-49)48-22-9-4-10-23-48)50-35(19-18-30-12-5-2-6-13-30)39(41(50)54)51-37(29-56-42(51)55)32-15-7-3-8-16-32/h2-3,5-8,11-19,26,34-37,39H,4,9-10,20-25,27-29H2,1H3/b19-18+/t35-,36-,37-,39+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C43H48F3N5O5
Molecular Weight	771.8669
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:29:49 UTC 2023` Edited by `admin` on `Sat Dec 16 11:29:49 UTC 2023`
Record UNII	G9Z22EU5FK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SRX-251

Common Name

English

(2R)-N-METHYL-4-OXO-2-((3S,4R)-2-OXO-3-((4S)-2-OXO-4-PHENYL-OXAZOLIDIN-3-YL)-4-((E)-STYRYL)AZETIDIN-1-YL)-4-(4-(1-PIPERIDYL)-1-PIPERIDYL)-N-((3-(TRIFLUOROMETHYL)PHENYL)METHYL)BUTANAMIDE

Systematic Name

English

(1,4'-BIPIPERIDINE)-1'-BUTANAMIDE, N-METHYL-.GAMMA.-OXO-.ALPHA.-((3S,4R)-2-OXO-3-((4S)-2-OXO-4-PHENYL-3-OXAZOLIDINYL)-4-((1E)-2-PHENYLETHENYL)-1-AZETIDINYL)-N-((3-(TRIFLUOROMETHYL)PHENYL)METHYL)-, (.ALPHA.R)-

Systematic Name

English

SRX-251(E-ISOMER)

Code

English

(.ALPHA.R)-N-METHYL-.GAMMA.-OXO-.ALPHA.-((3S,4R)-2-OXO-3-((4S)-2-OXO-4-PHENYL-3-OXAZOLIDINYL)-4-((1E)-2-PHENYLETHENYL)-1-AZETIDINYL)-N-((3-(TRIFLUOROMETHYL)PHENYL)METHYL)(1,4'-BIPIPERIDINE)-1'-BUTANAMIDE

Systematic Name

English

SRX 251

Code

English

Code System Code Type Description

PUBCHEM

11686429

Created by admin on Sat Dec 16 11:29:49 UTC 2023 , Edited by admin on Sat Dec 16 11:29:49 UTC 2023

PRIMARY

ChEMBL

CHEMBL3545146

Created by admin on Sat Dec 16 11:29:49 UTC 2023 , Edited by admin on Sat Dec 16 11:29:49 UTC 2023

PRIMARY

CAS

512784-94-0

Created by admin on Sat Dec 16 11:29:49 UTC 2023 , Edited by admin on Sat Dec 16 11:29:49 UTC 2023

PRIMARY

FDA UNII

G9Z22EU5FK

Created by admin on Sat Dec 16 11:29:49 UTC 2023 , Edited by admin on Sat Dec 16 11:29:49 UTC 2023

PRIMARY

Related Record Type Details


					9AB783U039

VASOPRESSIN V1A RECEPTOR

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					G9Z22EU5FK

SRX-251

ACTIVE MOIETY

Comments:

Class: Neuropsychotherapeutic; Mechanism of Action: Vasopressin 1 receptor antagonist; Highest Development Phases: Preclinical for Aggression, Discontinued for Dysmenorrhoea; Most Recent Events: 11 Jan 2010 SRX 251 is still in active development, 10 Dec 2009 Preclinical pharmacodynamics data presented at the 48th Annual Meeting of the American College of Neuropsychopharmacology (ACNP-2009), 04 Oct 2006 Data presented at the 232nd National Meeting of the American Chemical Society (232nd-ACS-2006) have been added to the pharmacokinetics and Women's Health pharmacodynamics sections