ABEQUOLIXRON ZINC

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C34H32ClF3NO3.Zn
Molecular Weight	1255.551
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Zn++].C[C@H](CCOC1=CC(CC([O-])=O)=CC=C1)N(CC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=C(Cl)C(=CC=C4)C(F)(F)F.C[C@H](CCOC5=CC(CC([O-])=O)=CC=C5)N(CC(C6=CC=CC=C6)C7=CC=CC=C7)CC8=C(Cl)C(=CC=C8)C(F)(F)F

InChI

InChIKey=NKDIMXHKTSYXIU-WLHYKHABSA-L

InChI=1S/2C34H33ClF3NO3.Zn/c2*1-24(18-19-42-29-16-8-10-25(20-29)21-32(40)41)39(22-28-15-9-17-31(33(28)35)34(36,37)38)23-30(26-11-4-2-5-12-26)27-13-6-3-7-14-27;/h2*2-17,20,24,30H,18-19,21-23H2,1H3,(H,40,41);/q;;+2/p-2/t2*24-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C34H32ClF3NO3
Molecular Weight	595.071
Charge	-1
Count

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

Molecular Formula	Zn
Molecular Weight	65.409
Charge	2
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:41:50 UTC 2023` Edited by `admin` on `Sat Dec 16 18:41:50 UTC 2023`
Record UNII	W4K33W5F39
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABEQUOLIXRON ZINC

Official Name

English

BENZENEACETIC ACID, 3-((3R)-3-(((2-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)METHYL)(2,2-DIPHENYLETHYL)AMINO)BUTOXY)-, ZINC SALT (2:1)

Systematic Name

English

RGX-104 ZINC

Code

English

ABEQUOLIXRON ZINC [USAN]

Common Name

English

(R)-2-(3-(3-((2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL)(2,2-DIPHENYLETHYL)AMINO)BUTOXY)PHENYL)ACETIC ACID, ZINC SALT (2:1)

Systematic Name

English

Code System Code Type Description

SMS_ID

300000044779