U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H28N4O11
Molecular Weight 680.617
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NICOFURATE

SMILES

COC(=O)C1=C(C)OC(=C1)[C@@H](OC(=O)C2=CC=CN=C2)[C@H](OC(=O)C3=CC=CN=C3)[C@@H](COC(=O)C4=CC=CN=C4)OC(=O)C5=CC=CN=C5

InChI

InChIKey=BNYZXONJFQJYPC-IDZRBWSNSA-N
InChI=1S/C35H28N4O11/c1-21-26(35(44)45-2)15-27(47-21)29(49-33(42)24-9-5-13-38-18-24)30(50-34(43)25-10-6-14-39-19-25)28(48-32(41)23-8-4-12-37-17-23)20-46-31(40)22-7-3-11-36-16-22/h3-19,28-30H,20H2,1-2H3/t28-,29-,30-/m1/s1

HIDE SMILES / InChI
Name Type Language
NICOFURATE
INN  
INN  
Official Name English
nicofurate [INN]
Common Name English
2-METHYL-5-(D-ARABINO-1,2,3,4-TETRAHYDROXYBUTYL)-3-FUROIC ACID METHYL ESTER, TETRANICOTINATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29707
Created by admin on Fri Dec 15 15:40:58 GMT 2023 , Edited by admin on Fri Dec 15 15:40:58 GMT 2023
Code System Code Type Description
FDA UNII
2357I4Q3WS
Created by admin on Fri Dec 15 15:40:58 GMT 2023 , Edited by admin on Fri Dec 15 15:40:58 GMT 2023
PRIMARY
EVMPD
SUB09238MIG
Created by admin on Fri Dec 15 15:40:58 GMT 2023 , Edited by admin on Fri Dec 15 15:40:58 GMT 2023
PRIMARY
CAS
4397-91-5
Created by admin on Fri Dec 15 15:40:58 GMT 2023 , Edited by admin on Fri Dec 15 15:40:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID701017029
Created by admin on Fri Dec 15 15:40:58 GMT 2023 , Edited by admin on Fri Dec 15 15:40:58 GMT 2023
PRIMARY
PUBCHEM
20055363
Created by admin on Fri Dec 15 15:40:58 GMT 2023 , Edited by admin on Fri Dec 15 15:40:58 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104425
Created by admin on Fri Dec 15 15:40:58 GMT 2023 , Edited by admin on Fri Dec 15 15:40:58 GMT 2023
PRIMARY
NCI_THESAURUS
C82927
Created by admin on Fri Dec 15 15:40:58 GMT 2023 , Edited by admin on Fri Dec 15 15:40:58 GMT 2023
PRIMARY
SMS_ID
100000084415
Created by admin on Fri Dec 15 15:40:58 GMT 2023 , Edited by admin on Fri Dec 15 15:40:58 GMT 2023
PRIMARY
INN
3268
Created by admin on Fri Dec 15 15:40:58 GMT 2023 , Edited by admin on Fri Dec 15 15:40:58 GMT 2023
PRIMARY