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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H38N2O4.2BrH
Molecular Weight 640.447
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEHYDROISOEMETINE DIHYDROBROMIDE

SMILES

Br.Br.[H][C@@]12CC(C[C@@H]3NCCC4=CC(OC)=C(OC)C=C34)=C(CC)CN1CCC5=CC(OC)=C(OC)C=C25

InChI

InChIKey=IRZYJLQDCUNDMY-LXTBHBSOSA-N
InChI=1S/C29H38N2O4.2BrH/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
DEHYDROISOEMETINE DIHYDROBROMIDE
Common Name English
2-DEHYDRO-1'-ISOEMETINE DIHYDROBROMIDE
Common Name English
EMETAN, 2,3-DIDEHYDRO-6',7',10,11-TETRAMETHOXY-, DIHYDROBROMIDE, (1'.BETA.)-
Common Name English
2,3-DEHYDROISOEMETINE DIHYDROBROMIDE
Common Name English
(-)-2,3-DEHYDROISOEMETINE DIHYDROBROMIDE [MI]
Common Name English
1'-ISOEMETINE, 2,3-DIDEHYDRO-, DIHYDROBROMIDE
Common Name English
ISOEMETINE, 2-DEHYDRO-, DIHYDROBROMIDE
Common Name English
Code System Code Type Description
FDA UNII
OI934276YZ
Created by admin on Sat Dec 16 00:10:33 UTC 2023 , Edited by admin on Sat Dec 16 00:10:33 UTC 2023
PRIMARY
EPA CompTox
DTXSID80184539
Created by admin on Sat Dec 16 00:10:33 UTC 2023 , Edited by admin on Sat Dec 16 00:10:33 UTC 2023
PRIMARY
MERCK INDEX
m4144
Created by admin on Sat Dec 16 00:10:33 UTC 2023 , Edited by admin on Sat Dec 16 00:10:33 UTC 2023
PRIMARY Merck Index
CAS
30461-73-5
Created by admin on Sat Dec 16 00:10:33 UTC 2023 , Edited by admin on Sat Dec 16 00:10:33 UTC 2023
PRIMARY
PUBCHEM
71587105
Created by admin on Sat Dec 16 00:10:33 UTC 2023 , Edited by admin on Sat Dec 16 00:10:33 UTC 2023
PRIMARY