TIMCODAR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H45ClN4O6
Molecular Weight	749.294
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N(C)[C@@H](CC2=CC=C(Cl)C=C2)C(=O)N(CC3=CC=CC=C3)C(CCC4=CC=NC=C4)CCC5=CC=NC=C5

InChI

InChIKey=MQSMWZHHUGSULF-QNGWXLTQSA-N

InChI=1S/C43H45ClN4O6/c1-47(43(51)40(49)34-27-38(52-2)41(54-4)39(28-34)53-3)37(26-32-10-14-35(44)15-11-32)42(50)48(29-33-8-6-5-7-9-33)36(16-12-30-18-22-45-23-19-30)17-13-31-20-24-46-25-21-31/h5-11,14-15,18-25,27-28,36-37H,12-13,16-17,26,29H2,1-4H3/t37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H45ClN4O6
Molecular Weight	749.294
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 `Sat Dec 16 17:14:51 UTC 2023` Edited by `admin` on `Sat Dec 16 17:14:51 UTC 2023`
Record UNII	U141W322WZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIMCODAR

Official Name

English

timcodar [INN]

Common Name

English

VX-853

Code

English

(S)-N-BENZYL-P-CHLORO-.ALPHA.-(N-METHYL-2-(3,4,5-TRIMETHOXYPHENYL)GLYOXYLAMIDO)-N-(3-(4-PYRIDYL)-1-(2-(4-PYRIDYL)ETHYL)PROPYL)HYDROCINNAMAMIDE

Common Name

English

Timcodar [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1744