AZD-2327 SESQUIFUMARATE

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C29H35FN4O.3C4H4O4
Molecular Weight	1297.4421
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.CCN(CC)C(=O)C1=CC=C(C=C1)[C@@H](N2CCN(CC3=CC=C(F)C=C3)CC2)C4=CC(N)=CC=C4.CCN(CC)C(=O)C5=CC=C(C=C5)[C@@H](N6CCN(CC7=CC=C(F)C=C7)CC6)C8=CC(N)=CC=C8

InChI

InChIKey=NPJXAFZCGFUMAU-ZERSFWPBSA-N

InChI=1S/2C29H35FN4O.3C4H4O4/c2*1-3-33(4-2)29(35)24-12-10-23(11-13-24)28(25-6-5-7-27(31)20-25)34-18-16-32(17-19-34)21-22-8-14-26(30)15-9-22;3*5-3(6)1-2-4(7)8/h2*5-15,20,28H,3-4,16-19,21,31H2,1-2H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+/t2*28-;;;/m11.../s1

HIDE SMILES / InChI

Molecular Formula	C29H35FN4O
Molecular Weight	474.6128
Charge	0
Count

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

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:31:09 UTC 2023` Edited by `admin` on `Fri Dec 15 16:31:09 UTC 2023`
Record UNII	UL044KBU7J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AZD-2327 SESQUIFUMARATE

Code

English

BENZAMIDE, 4-((R)-(3-AMINOPHENYL)(4-((4-FLUOROPHENYL)METHYL)-1-PIPERAZINYL)METHYL)-N,N-DIETHYL-, (2E)-2-BUTENEDIOATE (2:3)

Systematic Name

English

Code System Code Type Description

CAS

1309859-14-0

Created by admin on Fri Dec 15 16:31:09 UTC 2023 , Edited by admin on Fri Dec 15 16:31:09 UTC 2023

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SMS_ID

100000175816

Created by admin on Fri Dec 15 16:31:09 UTC 2023 , Edited by admin on Fri Dec 15 16:31:09 UTC 2023

PRIMARY

PUBCHEM

44514450

Created by admin on Fri Dec 15 16:31:09 UTC 2023 , Edited by admin on Fri Dec 15 16:31:09 UTC 2023

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FDA UNII

UL044KBU7J

Created by admin on Fri Dec 15 16:31:09 UTC 2023 , Edited by admin on Fri Dec 15 16:31:09 UTC 2023

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