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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H38N2O4.2ClH
Molecular Weight 551.545
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEHYDROISOEMETINE DIHYDROCHLORIDE

SMILES

Cl.Cl.CCC1=C(C[C@@H]2NCCC3=CC(OC)=C(OC)C=C23)C[C@@H]4N(CCC5=C4C=C(OC)C(OC)=C5)C1

InChI

InChIKey=WNJZDNXVVDNPSI-LXTBHBSOSA-N
InChI=1S/C29H38N2O4.2ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;/h13-16,24-25,30H,6-12,17H2,1-5H3;2*1H/t24-,25-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
EMETAN, 2,3-DIDEHYDRO-6',7',10,11-TETRAMETHOXY-, DIHYDROCHLORIDE, (1'.BETA.)-
Preferred Name English
DEHYDROISOEMETINE DIHYDROCHLORIDE
Common Name English
ISOEMETINE, 2-DEHYDRO-, DIHYDROCHLORIDE
Common Name English
Code System Code Type Description
PUBCHEM
71587420
Created by admin on Mon Mar 31 21:33:37 GMT 2025 , Edited by admin on Mon Mar 31 21:33:37 GMT 2025
PRIMARY
FDA UNII
3DU466HR53
Created by admin on Mon Mar 31 21:33:37 GMT 2025 , Edited by admin on Mon Mar 31 21:33:37 GMT 2025
PRIMARY
CAS
112001-55-5
Created by admin on Mon Mar 31 21:33:37 GMT 2025 , Edited by admin on Mon Mar 31 21:33:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID50149817
Created by admin on Mon Mar 31 21:33:37 GMT 2025 , Edited by admin on Mon Mar 31 21:33:37 GMT 2025
PRIMARY