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Details

Stereochemistry MIXED
Molecular Formula C40H42N4O6
Molecular Weight 674.7862
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3'-(((1,2-PHENYLENEBIS(OXY))BIS(ETHANE-2,1-DIYL))BIS(AZANEDIYL))BIS(1-((9H-CARBAZOL-4-YL)OXY)PROPAN-2-OL)

SMILES

c1ccc2c(c1)c3c(cccc3OCC(CNCCOc4ccccc4OCCNCC(COc5cccc6c5c7ccccc7[nH]6)O)O)[nH]2

InChI

InChIKey=ROANAWWLGXNTOE-UHFFFAOYSA-N
InChI=1S/C40H42N4O6/c45-27(25-49-37-17-7-13-33-39(37)29-9-1-3-11-31(29)43-33)23-41-19-21-47-35-15-5-6-16-36(35)48-22-20-42-24-28(46)26-50-38-18-8-14-34-40(38)30-10-2-4-12-32(30)44-34/h1-18,27-28,41-46H,19-26H2

HIDE SMILES / InChI

Molecular Formula C40H42N4O6
Molecular Weight 674.7862
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 03:59:07 UTC 2021
Edited
by admin
on Sat Jun 26 03:59:07 UTC 2021
Record UNII
8V8ZR5FV4K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3'-(((1,2-PHENYLENEBIS(OXY))BIS(ETHANE-2,1-DIYL))BIS(AZANEDIYL))BIS(1-((9H-CARBAZOL-4-YL)OXY)PROPAN-2-OL)
Systematic Name English
3,3'-(2,2'-(1,2-PHENYLENEBIS(OXY))BIS(ETHANE-2,1-DIYL))BIS(AZANEDIYL)BIS(1-(9H-CARBAZOL-4-YLOXY)PROPAN-2-OL)
Common Name English
CARVEDILOL BISALKYLPYROCATECHOL DERIVATIVE
Common Name English
(+/-)-3,3'-(((1,2-PHENYLENEBIS(OXY))BIS(ETHANE-2,1-DIYL))BIS(AZANEDIYL))BIS(1-((9H-CARBAZOL-4-YL)OXY)PROPAN-2-OL)
Systematic Name English
Code System Code Type Description
FDA UNII
8V8ZR5FV4K
Created by admin on Sat Jun 26 03:59:07 UTC 2021 , Edited by admin on Sat Jun 26 03:59:07 UTC 2021
PRIMARY
CAS
1346602-98-9
Created by admin on Sat Jun 26 03:59:07 UTC 2021 , Edited by admin on Sat Jun 26 03:59:07 UTC 2021
PRIMARY
PUBCHEM
71314574
Created by admin on Sat Jun 26 03:59:07 UTC 2021 , Edited by admin on Sat Jun 26 03:59:07 UTC 2021
PRIMARY
Related Record Type Details
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