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Details

Stereochemistry ACHIRAL
Molecular Formula C33H32N6O9
Molecular Weight 656.642
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of TRIMETHYLOLPROPANE TRIS((3-ISOCYANATO-4-METHYLPHENYL)CARBAMATE)

SMILES

CCC(COC(=O)NC1=CC(N=C=O)=C(C)C=C1)(COC(=O)NC2=CC(N=C=O)=C(C)C=C2)COC(=O)NC3=CC(N=C=O)=C(C)C=C3

InChI

InChIKey=XHLFUMPVVXAFKO-UHFFFAOYSA-N
InChI=1S/C33H32N6O9/c1-5-33(15-46-30(43)37-24-9-6-21(2)27(12-24)34-18-40,16-47-31(44)38-25-10-7-22(3)28(13-25)35-19-41)17-48-32(45)39-26-11-8-23(4)29(14-26)36-20-42/h6-14H,5,15-17H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)

HIDE SMILES / InChI

Approval Year

Name Type Language
TRIMETHYLOLPROPANE TRIS((3-ISOCYANATO-4-METHYLPHENYL)CARBAMATE)
Common Name English
2-ETHYL-2-(((((3-ISOCYANATO-4-METHYLPHENYL)AMINO)CARBONYL)OXY)METHYL)PROPYLENE (3-ISOCYANATO-4-METHYLPHENYL)CARBAMATE
Common Name English
1,1,1-TRIS(3-ISOCYANATO-4-METHYLPHENYLCARBAMOYLOXYMETHYL)PROPANE
Systematic Name English
CARBAMIC ACID, N-(3-ISOCYANATO-4-METHYLPHENYL)-, C,C'-(2-ETHYL-2-(((((3-ISOCYANATO-4-METHYLPHENYL)AMINO)CARBONYL)OXY)METHYL)-1,3-PROPANEDIYL) ESTER
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
215-855-7
Created by admin on Fri Dec 15 15:16:47 GMT 2023 , Edited by admin on Fri Dec 15 15:16:47 GMT 2023
PRIMARY
FDA UNII
70LTF622DN
Created by admin on Fri Dec 15 15:16:47 GMT 2023 , Edited by admin on Fri Dec 15 15:16:47 GMT 2023
PRIMARY
CAS
1431-54-5
Created by admin on Fri Dec 15 15:16:47 GMT 2023 , Edited by admin on Fri Dec 15 15:16:47 GMT 2023
PRIMARY
PUBCHEM
74027
Created by admin on Fri Dec 15 15:16:47 GMT 2023 , Edited by admin on Fri Dec 15 15:16:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID601101445
Created by admin on Fri Dec 15 15:16:47 GMT 2023 , Edited by admin on Fri Dec 15 15:16:47 GMT 2023
PRIMARY