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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H28N6O5S
Molecular Weight 536.603
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALECOBULIN

SMILES

COC1=CC(=CC(OC)=C1OC)C(=O)C2=CC=C(C=C2N3C=NC=N3)C4=CSC(NC(=O)[C@@H](N)C(C)C)=N4

InChI

InChIKey=UKKRUIXIDCWALA-QFIPXVFZSA-N
InChI=1S/C26H28N6O5S/c1-14(2)22(27)25(34)31-26-30-18(11-38-26)15-6-7-17(19(8-15)32-13-28-12-29-32)23(33)16-9-20(35-3)24(37-5)21(10-16)36-4/h6-14,22H,27H2,1-5H3,(H,30,31,34)/t22-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
VALECOBULIN
INN  
Official Name English
valecobulin [INN]
Common Name English
CKD-516 FREE BASE
Common Name English
BUTANAMIDE, 2-AMINO-3-METHYL-N-(4-(3-(1H-1,2,4-TRIAZOL-1-YL)-4-(3,4,5-TRIMETHOXYBENZOYL)PHENYL)-2-THIAZOLYL)-, (2S)-
Systematic Name English
Code System Code Type Description
CAS
1188371-47-2
Created by admin on Sat Dec 16 04:59:36 UTC 2023 , Edited by admin on Sat Dec 16 04:59:36 UTC 2023
PRIMARY
FDA UNII
P48P97V001
Created by admin on Sat Dec 16 04:59:36 UTC 2023 , Edited by admin on Sat Dec 16 04:59:36 UTC 2023
PRIMARY
PUBCHEM
44243402
Created by admin on Sat Dec 16 04:59:36 UTC 2023 , Edited by admin on Sat Dec 16 04:59:36 UTC 2023
PRIMARY
EPA CompTox
DTXSID20152252
Created by admin on Sat Dec 16 04:59:36 UTC 2023 , Edited by admin on Sat Dec 16 04:59:36 UTC 2023
PRIMARY
NCI_THESAURUS
C101264
Created by admin on Sat Dec 16 04:59:36 UTC 2023 , Edited by admin on Sat Dec 16 04:59:36 UTC 2023
PRIMARY
INN
10840
Created by admin on Sat Dec 16 04:59:36 UTC 2023 , Edited by admin on Sat Dec 16 04:59:36 UTC 2023
PRIMARY
SMS_ID
100000183611
Created by admin on Sat Dec 16 04:59:36 UTC 2023 , Edited by admin on Sat Dec 16 04:59:36 UTC 2023
PRIMARY