A-349821

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H34N2O3.C2HF3O2
Molecular Weight	536.5831
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(F)(F)F.C[C@@H]1CC[C@@H](C)N1CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N4CCOCC4

InChI

InChIKey=OHBFCJRSEWUPBT-MUCZFFFMSA-N

InChI=1S/C26H34N2O3.C2HF3O2/c1-20-4-5-21(2)28(20)14-3-17-31-25-12-10-23(11-13-25)22-6-8-24(9-7-22)26(29)27-15-18-30-19-16-27;3-2(4,5)1(6)7/h6-13,20-21H,3-5,14-19H2,1-2H3;(H,6,7)/t20-,21-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C2HF3O2
Molecular Weight	114.0233
Charge	0
Count

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

Molecular Formula	C26H34N2O3
Molecular Weight	422.5598
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Discovery and characterization of 6-{4-[3-(R)-2-methylpyrrolidin-1-yl)propoxy]phenyl}-2H-pyridazin-3-one (CEP-26401, irdabisant): a potent, selective histamine H3 receptor inverse agonist.	2011 Jul 14	21634396

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:34:42 UTC 2023` Edited by `admin` on `Sat Dec 16 08:34:42 UTC 2023`
Record UNII	5O2BWE72H6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

A-349821

Common Name

English

METHANONE, (4'-(3-((2R,5R)-2,5-DIMETHYL-1-PYRROLIDINYL)PROPOXY)(1,1'-BIPHENYL)-4-YL)-4-MORPHOLINYL-, 2,2,2-TRIFLUOROACETATE (1:1)

Systematic Name

English

MORPHOLINE, 4-((4'-(3-((2R,5R)-2,5-DIMETHYL-1-PYRROLIDINYL)PROPOXY)(1,1'-BIPHENYL)-4-YL)CARBONYL)-, MONO(TRIFLUOROACETATE)

Systematic Name

English

A-349,821

Code

English

Code System Code Type Description

EPA CompTox

DTXSID001027574

Created by admin on Sat Dec 16 08:34:42 UTC 2023 , Edited by admin on Sat Dec 16 08:34:42 UTC 2023

PRIMARY

FDA UNII

5O2BWE72H6

Created by admin on Sat Dec 16 08:34:42 UTC 2023 , Edited by admin on Sat Dec 16 08:34:42 UTC 2023

PRIMARY

CAS

556835-30-4

Created by admin on Sat Dec 16 08:34:42 UTC 2023 , Edited by admin on Sat Dec 16 08:34:42 UTC 2023

PRIMARY

PUBCHEM

71587762

Created by admin on Sat Dec 16 08:34:42 UTC 2023 , Edited by admin on Sat Dec 16 08:34:42 UTC 2023

PRIMARY

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					67WL275ISI

A-349821 FREE BASE

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					D9SCP0G3HF

HISTAMINE H3 RECEPTOR

TARGET -> INHIBITOR

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					67WL275ISI

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ACTIVE MOIETY