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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29ClN2OS
Molecular Weight 417.007
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XANTHIOL, (R)-

SMILES

OCCCN1CCN(CCC[C@@H]2C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)CC1

InChI

InChIKey=VQLAZPRVCPICCQ-LJQANCHMSA-N
InChI=1S/C23H29ClN2OS/c24-18-8-9-23-21(17-18)19(20-5-1-2-7-22(20)28-23)6-3-10-25-12-14-26(15-13-25)11-4-16-27/h1-2,5,7-9,17,19,27H,3-4,6,10-16H2/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H29ClN2OS
Molecular Weight 417.007
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 10:26:47 GMT 2023
Edited
by admin
on Sat Dec 16 10:26:47 GMT 2023
Record UNII
N4LZC7YD5A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XANTHIOL, (R)-
Common Name English
1-PIPERAZINEPROPANOL, 4-(3-(2-CHLORO-9H-THIOXANTHEN-9-YL)PROPYL)-, (R)-
Systematic Name English
4-(3-(2-CHLOROTHIOXANTHEN-9-YL)PROPYL)-1-PIPERAZINEPROPANOL, (R)-
Systematic Name English
S-9-888, (R)-
Code English
1-PIPERAZINEPROPANOL, 4-(3-(2-CHLOROTHIOXANTHEN-9-YL)PROPYL)-, (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76962571
Created by admin on Sat Dec 16 10:26:47 GMT 2023 , Edited by admin on Sat Dec 16 10:26:47 GMT 2023
PRIMARY
FDA UNII
N4LZC7YD5A
Created by admin on Sat Dec 16 10:26:47 GMT 2023 , Edited by admin on Sat Dec 16 10:26:47 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER