MEVIDALEN HYDROXYBENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H29Cl2NO3.C7H6O3
Molecular Weight	588.519
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC=C(O)C=C1.C[C@@H]2N([C@@H](CO)CC3=C2C=CC=C3CCC(C)(C)O)C(=O)CC4=C(Cl)C=CC=C4Cl

InChI

InChIKey=QDACLJAXTYXXBL-KPVRICSOSA-N

InChI=1S/C24H29Cl2NO3.C7H6O3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26;8-6-3-1-5(2-4-6)7(9)10/h4-9,15,17,28,30H,10-14H2,1-3H3;1-4,8H,(H,9,10)/t15-,17+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C24H29Cl2NO3
Molecular Weight	450.398
Charge	0
Count

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

Molecular Formula	C7H6O3
Molecular Weight	138.1207
Charge	0
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 11:55:08 UTC 2023` Edited by `admin` on `Sat Dec 16 11:55:08 UTC 2023`
Record UNII	1ZZ82832I4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MEVIDALEN HYDROXYBENZOATE

Official Name

English

LY-3154207 HYDROXYBENZOATE

Code

English

BENZOIC ACID, 4-HYDROXY-, COMPD. WITH 2-(2,6-DICHLOROPHENYL)-1-((1S,3R)-3,4-DIHYDRO-3-(HYDROXYMETHYL)-5-(3-HYDROXY-3-METHYLBUTYL)-1-METHYL-2(1H)-ISOQUINOLINYL)ETHANONE (1:1)

Systematic Name

English

4-Hydroxybenzoic acid compound with 2-(2,6-dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]ethanone (1:1)

Official Name

English

MEVIDALEN HYDROXYBENZOATE [USAN]

Common Name

English

LY3154207 HYDROXYBENZOATE

Code

English

Code System Code Type Description

NCI_THESAURUS

C175818