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Details

Stereochemistry RACEMIC
Molecular Formula C36H36N2O8
Molecular Weight 624.681
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GROSSAMIDE

SMILES

COc1cc(ccc1O)[C@]2([H])[C@]([H])(c3cc(/C(/[H])=C(\[H])/C(=NCCc4ccc(cc4)O)O)cc(c3O2)OC)C(=NCCc5ccc(cc5)O)O

InChI

InChIKey=DROXVBRNXCRUHP-XALRPAEYSA-N
InChI=1S/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7+/t33-,34+/m0/s1

HIDE SMILES / InChI

Molecular Formula C36H36N2O8
Molecular Weight 624.681
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:01:09 UTC 2021
Edited
by admin
on Sat Jun 26 14:01:09 UTC 2021
Record UNII
63RFK5Z1GK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GROSSAMIDE
Common Name English
NSC-359837
Code English
3-BENZOFURANCARBOXAMIDE, 2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-N-(2-(4-HYDROXYPHENYL)ETHYL)-5-((1E)-3-((2-(4-HYDROXYPHENYL)ETHYL)AMINO)-3-OXO-1-PROPENYL)-7-METHOXY-, (2R,3R)-REL-
Systematic Name English
3-BENZOFURANCARBOXAMIDE, 2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-N-(2-(4-HYDROXYPHENYL)ETHYL)-5-((1E)-3-((2-(4-HYDROXYPHENYL)ETHYL)AMINO)-3-OXO-1-PROPEN-1-YL)-7-METHOXY-, (2R,3R)-REL-
Systematic Name English
(+/-)-GROSSAMIDE
Common Name English
Code System Code Type Description
PUBCHEM
101262727
Created by admin on Sat Jun 26 14:01:09 UTC 2021 , Edited by admin on Sat Jun 26 14:01:09 UTC 2021
PRIMARY
CAS
80510-06-1
Created by admin on Sat Jun 26 14:01:09 UTC 2021 , Edited by admin on Sat Jun 26 14:01:09 UTC 2021
PRIMARY
FDA UNII
63RFK5Z1GK
Created by admin on Sat Jun 26 14:01:09 UTC 2021 , Edited by admin on Sat Jun 26 14:01:09 UTC 2021
PRIMARY
Related Record Type Details
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