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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H17NO3.ClH
Molecular Weight 331.793
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Xylopine hydrochloride

SMILES

Cl.COC1=CC=C2C(C[C@H]3NCCC4=C3C2=C5OCOC5=C4)=C1

InChI

InChIKey=FOJIIGFMQZGRBN-PFEQFJNWSA-N
InChI=1S/C18H17NO3.ClH/c1-20-12-2-3-13-11(6-12)7-14-16-10(4-5-19-14)8-15-18(17(13)16)22-9-21-15;/h2-3,6,8,14,19H,4-5,7,9H2,1H3;1H/t14-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H17NO3
Molecular Weight 295.3325
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 Wed Apr 02 15:40:41 GMT 2025
Edited
by admin
on Wed Apr 02 15:40:41 GMT 2025
Record UNII
Q4GFJ55ZHY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-288402
Preferred Name English
Xylopine hydrochloride
Common Name English
6a?-Noraporphine, 9-methoxy-1,2-(methylenedioxy)-, hydrochloride
Systematic Name English
Code System Code Type Description
NSC
288402
Created by admin on Wed Apr 02 15:40:41 GMT 2025 , Edited by admin on Wed Apr 02 15:40:41 GMT 2025
PRIMARY
PUBCHEM
131877438
Created by admin on Wed Apr 02 15:40:41 GMT 2025 , Edited by admin on Wed Apr 02 15:40:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID80611052
Created by admin on Wed Apr 02 15:40:41 GMT 2025 , Edited by admin on Wed Apr 02 15:40:41 GMT 2025
PRIMARY
FDA UNII
Q4GFJ55ZHY
Created by admin on Wed Apr 02 15:40:41 GMT 2025 , Edited by admin on Wed Apr 02 15:40:41 GMT 2025
PRIMARY
CAS
30437-13-9
Created by admin on Wed Apr 02 15:40:41 GMT 2025 , Edited by admin on Wed Apr 02 15:40:41 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE