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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H27NO5S
Molecular Weight 441.54
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-163639

SMILES

OC1=CC=C(C=C1)C2=CCN(C[C@@H]3CCC=C(C3)C4=CC=C(OS(O)(=O)=O)C=C4)CC2

InChI

InChIKey=NAPKHHDHKWJLMQ-GOSISDBHSA-N
InChI=1S/C24H27NO5S/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(11-7-20)30-31(27,28)29/h3-12,18,26H,1-2,13-17H2,(H,27,28,29)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H27NO5S
Molecular Weight 441.54
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 16:34:58 UTC 2023
Edited
by admin
on Sat Dec 16 16:34:58 UTC 2023
Record UNII
6O7M4WR1AP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PD-163639
Code English
PHENOL, 4-(5-((3,6-DIHYDRO-4-(4-HYDROXYPHENYL)-1(2H)-PYRIDINYL)METHYL)-1-CYCLOHEXEN-1-YL)-, 1-(HYDROGEN SULFATE), (R)-
Systematic Name English
PD 163639
Code English
PHENOL, 4-((5R)-5-((3,6-DIHYDRO-4-(4-HYDROXYPHENYL)-1(2H)-PYRIDINYL)METHYL)-1-CYCLOHEXEN-1-YL)-, 1-(HYDROGEN SULFATE)
Systematic Name English
Code System Code Type Description
FDA UNII
6O7M4WR1AP
Created by admin on Sat Dec 16 16:34:58 UTC 2023 , Edited by admin on Sat Dec 16 16:34:58 UTC 2023
PRIMARY
PUBCHEM
10094855
Created by admin on Sat Dec 16 16:34:58 UTC 2023 , Edited by admin on Sat Dec 16 16:34:58 UTC 2023
PRIMARY
CAS
192505-93-4
Created by admin on Sat Dec 16 16:34:58 UTC 2023 , Edited by admin on Sat Dec 16 16:34:58 UTC 2023
PRIMARY
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