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Details

Stereochemistry MIXED
Molecular Formula C37H38N6O2
Molecular Weight 598.7366
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,6'-METHYLENEBIS((3RS)-9-METHYL-3-((2-METHYL-1H-IMIDAZOL-1-YL)METHYL)-1,2,3,9-TETRAHYDRO-4H-CARBAZOL-4-ONE)

SMILES

CN1C2=C(C3=C1C=CC(CC4=CC5=C(C=C4)N(C)C6=C5C(=O)C(CN7C=CN=C7C)CC6)=C3)C(=O)C(CN8C=CN=C8C)CC2

InChI

InChIKey=JTVFJNKLNVONRS-UHFFFAOYSA-N
InChI=1S/C37H38N6O2/c1-22-38-13-15-42(22)20-26-7-11-32-34(36(26)44)28-18-24(5-9-30(28)40(32)3)17-25-6-10-31-29(19-25)35-33(41(31)4)12-8-27(37(35)45)21-43-16-14-39-23(43)2/h5-6,9-10,13-16,18-19,26-27H,7-8,11-12,17,20-21H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C37H38N6O2
Molecular Weight 598.7366
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 Dec 16 10:01:45 GMT 2023
Edited
by admin
on Sat Dec 16 10:01:45 GMT 2023
Record UNII
83UCA3Y462
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,6'-METHYLENEBIS((3RS)-9-METHYL-3-((2-METHYL-1H-IMIDAZOL-1-YL)METHYL)-1,2,3,9-TETRAHYDRO-4H-CARBAZOL-4-ONE)
Systematic Name English
4H-CARBAZOL-4-ONE, 6,6'-METHYLENEBIS(1,2,3,9-TETRAHYDRO-9-METHYL-3-((2-METHYL-1H-IMIDAZOL-1-YL)METHYL)-
Systematic Name English
ONDANSETRON HYDROCHLORIDE DIHYDRATE IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
83UCA3Y462
Created by admin on Sat Dec 16 10:01:45 GMT 2023 , Edited by admin on Sat Dec 16 10:01:45 GMT 2023
PRIMARY
CAS
1076198-52-1
Created by admin on Sat Dec 16 10:01:45 GMT 2023 , Edited by admin on Sat Dec 16 10:01:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID901112429
Created by admin on Sat Dec 16 10:01:45 GMT 2023 , Edited by admin on Sat Dec 16 10:01:45 GMT 2023
PRIMARY
PUBCHEM
46782240
Created by admin on Sat Dec 16 10:01:45 GMT 2023 , Edited by admin on Sat Dec 16 10:01:45 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (TLC)
EP