AJG-049

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H30N2O2.ClH
Molecular Weight	451.0
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.COC1=CC=C(CCN2CCC[C@@H]2CN3C4=C(COC5=C3C=CC=C5)C=CC=C4)C=C1

InChI

InChIKey=QVEPWCHFXPHWJG-GNAFDRTKSA-N

InChI=1S/C27H30N2O2.ClH/c1-30-24-14-12-21(13-15-24)16-18-28-17-6-8-23(28)19-29-25-9-3-2-7-22(25)20-31-27-11-5-4-10-26(27)29;/h2-5,7,9-15,23H,6,8,16-20H2,1H3;1H/t23-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C27H30N2O2
Molecular Weight	414.5393
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:21:51 GMT 2025` Edited by `admin` on `Mon Mar 31 23:21:51 GMT 2025`
Record UNII	4RF1CJ03KT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AJG 049

Preferred Name

English

AJG-049

Code

English

11-(((2R)-1-(2-(4-METHOXYPHENYL)ETHYL)PYRROLIDIN-2-YL)METHYL)-6H-BENZO(C)(1,5)BENZOXAZEPINE HYDROCHLORIDE

Systematic Name

English

DIBENZ(B,E)(1,4)OXAZEPINE, 5,11-DIHYDRO-5-((1-(2-(4-METHOXYPHENYL)ETHYL)-2-PYRROLIDINYL)METHYL)-, MONOHYDROCHLORIDE, (R)-

Systematic Name

English

AJG049

Code

English

DIBENZ(B,E)(1,4)OXAZEPINE, 5,11-DIHYDRO-5-(((2R)-1-(2-(4-METHOXYPHENYL)ETHYL)-2-PYRROLIDINYL)METHYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

4RF1CJ03KT

Created by admin on Mon Mar 31 23:21:51 GMT 2025 , Edited by admin on Mon Mar 31 23:21:51 GMT 2025

PRIMARY

MANUFACTURER PRODUCT INFORMATION

AJG-049

Created by admin on Mon Mar 31 23:21:51 GMT 2025 , Edited by admin on Mon Mar 31 23:21:51 GMT 2025

PRIMARY

HY-19409 CAS:195991-50-5 (Synonyms AJG049, AJG 049)

CAS

195991-50-5

Created by admin on Mon Mar 31 23:21:51 GMT 2025 , Edited by admin on Mon Mar 31 23:21:51 GMT 2025

PRIMARY

PUBCHEM

11974305

Created by admin on Mon Mar 31 23:21:51 GMT 2025 , Edited by admin on Mon Mar 31 23:21:51 GMT 2025

PRIMARY

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Comments:

These results suggest that AJG049 possesses a dual action on voltage-dependent Ca(2+) channels in circular layer of guinea-pig antrum.

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					436KSO3HQN

AJG-049 FREE BASE

ACTIVE MOIETY

Comments:

These results show that AJG049 inhibits L-type Ca2 channels mainly through the diltiazembinding site(s). From our results, AJG049 showed a little selectivity for these Ca2 channels in intestinal smooth muscle.