U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C30H34N2O4
Molecular Weight 486.6031
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WAY-160546

SMILES

Cc1c2cc(ccc2n(Cc3ccc(cc3)OCCN4(=O)CCCCCC4)c1-c5ccc(cc5)O)O

InChI

InChIKey=CFBANWAZVCOMGU-UHFFFAOYSA-N
InChI=1S/C30H34N2O4/c1-22-28-20-26(34)12-15-29(28)31(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)36-19-18-32(35)16-4-2-3-5-17-32/h6-15,20,33-34H,2-5,16-19,21H2,1H3

HIDE SMILES / InChI

Molecular Formula C30H34N2O4
Molecular Weight 486.6031
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 15:06:03 UTC 2021
Edited
by admin
on Sat Jun 26 15:06:03 UTC 2021
Record UNII
SHJ3JJ98O2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WAY-160546
Common Name English
1H-INDOL-5-OL, 1-((4-(2-(HEXAHYDRO-1-OXIDO-1H-AZEPIN-1-YL)ETHOXY)PHENYL)METHYL)-2-(4-HYDROXYPHENYL)-3-METHYL-
Systematic Name English
2-(4-HYDROXYPHENYL)-3-METHYL-1-((4-(2-(1-OXIDOAZEPAN-1-IUM-1-YL)ETHOXY)PHENYL)METHYL)INDOL-5-OL
Systematic Name English
1-((4-(2-(HEXAHYDRO-1-OXIDO-1H-AZEPIN-1-YL)ETHOXY)PHENYL)METHYL)-2-(4-HYDROXYPHENYL)-3-METHYL-1H-INDOL-5-OL
Systematic Name English
Code System Code Type Description
FDA UNII
SHJ3JJ98O2
Created by admin on Sat Jun 26 15:06:04 UTC 2021 , Edited by admin on Sat Jun 26 15:06:04 UTC 2021
PRIMARY
PUBCHEM
59499290
Created by admin on Sat Jun 26 15:06:04 UTC 2021 , Edited by admin on Sat Jun 26 15:06:04 UTC 2021
PRIMARY
CAS
1174289-22-5
Created by admin on Sat Jun 26 15:06:04 UTC 2021 , Edited by admin on Sat Jun 26 15:06:04 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
FECAL