CL-316243 FREE DIACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H20ClNO7
Molecular Weight	421.828
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](CC1=CC=C2OC(OC2=C1)(C(O)=O)C(O)=O)NC[C@H](O)C3=CC(Cl)=CC=C3

InChI

InChIKey=JEDJMKTVUPSHFW-ABAIWWIYSA-N

InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/t11-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H20ClNO7
Molecular Weight	421.828
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:22:03 UTC 2023` Edited by `admin` on `Sat Dec 16 10:22:03 UTC 2023`
Record UNII	52H8DB0TKX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CL-316243 FREE DIACID

Common Name

English

5-((2R)-2-(((2R)-2-(3-CHLOROPHENYL)-2-HYDROXYETHYL)AMINO)PROPYL)-1,3-BENZODIOXOLE-2,2-DICARBOXYLIC ACID

Systematic Name

English

1,3-BENZODIOXOLE-2,2-DICARBOXYLIC ACID, 5-((2R)-2-(((2R)-2-(3-CHLOROPHENYL)-2-HYDROXYETHYL)AMINO)PROPYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

52H8DB0TKX

Created by admin on Sat Dec 16 10:22:04 UTC 2023 , Edited by admin on Sat Dec 16 10:22:04 UTC 2023

PRIMARY

PUBCHEM

5486546

Created by admin on Sat Dec 16 10:22:04 UTC 2023 , Edited by admin on Sat Dec 16 10:22:04 UTC 2023

PRIMARY

CAS

183720-02-7

Created by admin on Sat Dec 16 10:22:04 UTC 2023 , Edited by admin on Sat Dec 16 10:22:04 UTC 2023

PRIMARY

Related Record Type Details


					52H8DB0TKX

CL-316243 FREE DIACID

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