VALATEGRAST HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H32Cl3N3O4.ClH
Molecular Weight	641.413
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCN(CC)CCOC(=O)[C@H](CC1=CC=C(NC(=O)C2=C(Cl)C=CC=C2Cl)C=C1)NC(=O)C3=C(C)C=CC=C3Cl

InChI

InChIKey=CNNHYZRRGXZIIA-UQIIZPHYSA-N

InChI=1S/C30H32Cl3N3O4.ClH/c1-4-36(5-2)16-17-40-30(39)25(35-28(37)26-19(3)8-6-9-22(26)31)18-20-12-14-21(15-13-20)34-29(38)27-23(32)10-7-11-24(27)33;/h6-15,25H,4-5,16-18H2,1-3H3,(H,34,38)(H,35,37);1H/t25-;/m0./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	C30H32Cl3N3O4
Molecular Weight	604.952
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 `Fri Dec 15 16:04:14 UTC 2023` Edited by `admin` on `Fri Dec 15 16:04:14 UTC 2023`
Record UNII	XN95730F0N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VALATEGRAST HYDROCHLORIDE

Official Name

English

RO-272441002

Code

English

RO0272441/002

Code

English

2-(DIETHYLAMINO)ETHYL(2S)-2-((2-CHLORO-6-METHYLBENZOYL)AMINO)-3-(4-((2,6-DICHLOROBENZOYL)AMINO)PHENYL)PROPANOATE HYDROCHLORIDE

Systematic Name

English

RO27-2441/002

Code

English

RO-0272441/002

Code

English

L-PHENYLALANINE, N-(2-CHLORO-6-METHYLBENZOYL)-4-((2,6-DICHLOROBENZOYL)AMINO-, 2-(DIETHYLAMINO)ETHYL ESTER, MONOHYDROCHLORIDE

Common Name

English

VALATEGRAST HCL

Common Name

English

RO-02724411002

Code

English

VALATEGRAST HYDROCHLORIDE [USAN]

Common Name

English

RO-27-2441/002

Code

English

R-411

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29712