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

Details

Stereochemistry RACEMIC
Molecular Formula C21H25NO4
Molecular Weight 355.4275
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-283097

SMILES

O[C@@H]1[C@@H](COC2=CC(O)=CC=C12)N3CCC(O)(CC4=CC=CC=C4)CC3

InChI

InChIKey=JQQWDYJWDCIVKQ-QUCCMNQESA-N
InChI=1S/C21H25NO4/c23-16-6-7-17-19(12-16)26-14-18(20(17)24)22-10-8-21(25,9-11-22)13-15-4-2-1-3-5-15/h1-7,12,18,20,23-25H,8-11,13-14H2/t18-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H25NO4
Molecular Weight 355.4275
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:23:15 GMT 2023
Edited
by admin
on Sat Dec 16 09:23:15 GMT 2023
Record UNII
WHL1Z3GN15
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-283097
Common Name English
2H-1-BENZOPYRAN-4,7-DIOL, 3,4-DIHYDRO-3-(4-HYDROXY-4-(PHENYLMETHYL)-1-PIPERIDINYL)-, (3R,4S)-REL-
Systematic Name English
2H-1-BENZOPYRAN-4,7-DIOL, 3,4-DIHYDRO-3-(4-HYDROXY-4-(PHENYLMETHYL)-1-PIPERIDINYL)-, CIS-
Systematic Name English
(3R,4S)-REL-3,4-DIHYDRO-3-(4-HYDROXY-4-(PHENYLMETHYL)-1-PIPERIDINYL)-2H-1-BENZOPYRAN-4,7-DIOL
Systematic Name English
Code System Code Type Description
CAS
138047-56-0
Created by admin on Sat Dec 16 09:23:15 GMT 2023 , Edited by admin on Sat Dec 16 09:23:15 GMT 2023
PRIMARY
FDA UNII
WHL1Z3GN15
Created by admin on Sat Dec 16 09:23:15 GMT 2023 , Edited by admin on Sat Dec 16 09:23:15 GMT 2023
PRIMARY
PUBCHEM
9841576
Created by admin on Sat Dec 16 09:23:15 GMT 2023 , Edited by admin on Sat Dec 16 09:23:15 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY