NELADENOSON BIALANATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H34ClN7O4S2
Molecular Weight	716.272
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](N)C(=O)N[C@@H](C)C(=O)OCCOC1=CC=C(C=C1)C2=C(C#N)C(SCC3=CSC(=N3)C4=CC=C(Cl)C=C4)=NC(N5CCCC5)=C2C#N

InChI

InChIKey=WESNEIGKOAXSGX-VXKWHMMOSA-N

InChI=1S/C35H34ClN7O4S2/c1-21(39)32(44)40-22(2)35(45)47-16-15-46-27-11-7-23(8-12-27)30-28(17-37)31(43-13-3-4-14-43)42-34(29(30)18-38)49-20-26-19-48-33(41-26)24-5-9-25(36)10-6-24/h5-12,19,21-22H,3-4,13-16,20,39H2,1-2H3,(H,40,44)/t21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H34ClN7O4S2
Molecular Weight	716.272
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 17:50:04 UTC 2023` Edited by `admin` on `Sat Dec 16 17:50:04 UTC 2023`
Record UNII	IV690462VZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NELADENOSON BIALANATE

Official Name

English

neladenoson bialanate [INN]

Common Name

English

2-(4-(2-(((2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL)METHYL)SULFANYL)-3,5-DICYANO-6-(PYRROLIDIN-1-YL)PYRIDIN-4-YL)PHENOXY)ETHYL L-ALANYL-L-ALANINATE

Systematic Name

English

Neladenoson bialanate [WHO-DD]

Common Name

English

BAY1067197

Code

English

L-ALANINE, L-ALANYL-, 2-(4-(2-(((2-(4-CHLOROPHENYL)-4-THIAZOLYL)METHYL)THIO)-3,5-DICYANO-6-(1-PYRROLIDINYL)-4-PYRIDINYL)PHENOXY)ETHYL ESTER

Systematic Name

English

BAY-1067197

Code

English

BAY-10-67197

Code

English

BAY10-67197

Code

English

NELADENOSON DALANATE

Common Name

English

Code System Code Type Description

CAS

1239309-58-0