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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H37N3O2
Molecular Weight 435.6016
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (-)-RWAY

SMILES

COC1=CC=CC=C1N2CCN(CC[C@H](C(=O)N3CCCCCC3)C4=CC=CC=C4)CC2

InChI

InChIKey=JUAVWMUCGPXXJV-DEOSSOPVSA-N
InChI=1S/C27H37N3O2/c1-32-26-14-8-7-13-25(26)29-21-19-28(20-22-29)18-15-24(23-11-5-4-6-12-23)27(31)30-16-9-2-3-10-17-30/h4-8,11-14,24H,2-3,9-10,15-22H2,1H3/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H37N3O2
Molecular Weight 435.6016
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:47:41 GMT 2023
Edited
by admin
on Sat Dec 16 18:47:41 GMT 2023
Record UNII
3M2M8AWU8T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-RWAY
Common Name English
(2S)-1-(HEXAHYDRO-1H-AZEPIN-1-YL)-4-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)-2-PHENYL-1-BUTANONE
Systematic Name English
1-BUTANONE, 1-(HEXAHYDRO-1H-AZEPIN-1-YL)-4-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)-2-PHENYL-, (2S)-
Systematic Name English
1H-AZEPINE, HEXAHYDRO-1-(4-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)-1-OXO-2-PHENYLBUTYL)-, (S)-
Systematic Name English
Code System Code Type Description
CAS
142685-19-6
Created by admin on Sat Dec 16 18:47:41 GMT 2023 , Edited by admin on Sat Dec 16 18:47:41 GMT 2023
PRIMARY
PUBCHEM
9889207
Created by admin on Sat Dec 16 18:47:41 GMT 2023 , Edited by admin on Sat Dec 16 18:47:41 GMT 2023
PRIMARY
FDA UNII
3M2M8AWU8T
Created by admin on Sat Dec 16 18:47:41 GMT 2023 , Edited by admin on Sat Dec 16 18:47:41 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED