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Details

Stereochemistry ACHIRAL
Molecular Formula C26H36N2O4
Molecular Weight 440.575
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BISOBRIN

SMILES

COC1=C(OC)C=C2[C@@H](CCCC[C@@H]3NCCC4=CC(OC)=C(OC)C=C34)NCCC2=C1

InChI

InChIKey=CYVSPLIJDCJRGR-SZPZYZBQSA-N
InChI=1S/C26H36N2O4/c1-29-23-13-17-9-11-27-21(19(17)15-25(23)31-3)7-5-6-8-22-20-16-26(32-4)24(30-2)14-18(20)10-12-28-22/h13-16,21-22,27-28H,5-12H2,1-4H3/t21-,22+

HIDE SMILES / InChI

Molecular Formula C26H36N2O4
Molecular Weight 440.575
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:45:34 GMT 2023
Edited
by admin
on Fri Dec 15 16:45:34 GMT 2023
Record UNII
NW9075C08O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BISOBRIN
INN  
INN  
Official Name English
MESO-1,1'-TETRAMETHYLENEBIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXYISOQUINOLINE)
Common Name English
ISOQUINOLINE, 1,1'-(1,4-BUTANEDIYL)BIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-, (R*,S*)-
Common Name English
bisobrin [INN]
Common Name English
(R*,S*)-1,1'-(1,4-BUTANEDIYL)BIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXYISOQUINOLINE)
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C174767
Created by admin on Fri Dec 15 16:45:34 GMT 2023 , Edited by admin on Fri Dec 15 16:45:34 GMT 2023
PRIMARY
CAS
22407-74-5
Created by admin on Fri Dec 15 16:45:34 GMT 2023 , Edited by admin on Fri Dec 15 16:45:34 GMT 2023
PRIMARY
MESH
C010050
Created by admin on Fri Dec 15 16:45:34 GMT 2023 , Edited by admin on Fri Dec 15 16:45:34 GMT 2023
PRIMARY
FDA UNII
NW9075C08O
Created by admin on Fri Dec 15 16:45:34 GMT 2023 , Edited by admin on Fri Dec 15 16:45:34 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110644
Created by admin on Fri Dec 15 16:45:34 GMT 2023 , Edited by admin on Fri Dec 15 16:45:34 GMT 2023
PRIMARY
PUBCHEM
3037067
Created by admin on Fri Dec 15 16:45:34 GMT 2023 , Edited by admin on Fri Dec 15 16:45:34 GMT 2023
PRIMARY
INN
2631
Created by admin on Fri Dec 15 16:45:34 GMT 2023 , Edited by admin on Fri Dec 15 16:45:34 GMT 2023
PRIMARY
SMS_ID
100000086340
Created by admin on Fri Dec 15 16:45:34 GMT 2023 , Edited by admin on Fri Dec 15 16:45:34 GMT 2023
PRIMARY
EVMPD
SUB05854MIG
Created by admin on Fri Dec 15 16:45:34 GMT 2023 , Edited by admin on Fri Dec 15 16:45:34 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY