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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H27NO4S
Molecular Weight 425.54
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-163637

SMILES

OS(=O)(=O)OC1=CC=C(C=C1)C2=CCC[C@@H](CN3CCC(=CC3)C4=CC=CC=C4)C2

InChI

InChIKey=HYIQJYUSPDOZFX-LJQANCHMSA-N
InChI=1S/C24H27NO4S/c26-30(27,28)29-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19H,4-5,14-18H2,(H,26,27,28)/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H27NO4S
Molecular Weight 425.54
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 16:42:18 UTC 2023
Edited
by admin
on Sat Dec 16 16:42:18 UTC 2023
Record UNII
GVW83Z2EYV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PD-163637
Code English
PD 163637
Code English
PHENOL, 4-((5R)-5-((3,6-DIHYDRO-4-PHENYL-1(2H)-PYRIDINYL)METHYL)-1-CYCLOHEXEN-1-YL)-, 1-(HYDROGEN SULFATE)
Systematic Name English
PHENOL, 4-(5-((3,6-DIHYDRO-4-PHENYL-1(2H)-PYRIDINYL)METHYL)-1-CYCLOHEXEN-1-YL)-, HYDROGEN SULFATE (ESTER), (R)-
Systematic Name English
Code System Code Type Description
CAS
192505-92-3
Created by admin on Sat Dec 16 16:42:18 UTC 2023 , Edited by admin on Sat Dec 16 16:42:18 UTC 2023
PRIMARY
PUBCHEM
10093927
Created by admin on Sat Dec 16 16:42:18 UTC 2023 , Edited by admin on Sat Dec 16 16:42:18 UTC 2023
PRIMARY
FDA UNII
GVW83Z2EYV
Created by admin on Sat Dec 16 16:42:18 UTC 2023 , Edited by admin on Sat Dec 16 16:42:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE