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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.[H][C@@]12CC3=C(C=CC(OC)=C3)C4=C1C(CCN2)=CC5=C4OCO5

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 Sat Dec 16 19:26:53 GMT 2023
Edited
by admin
on Sat Dec 16 19:26:53 GMT 2023
Record UNII
Q4GFJ55ZHY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Xylopine hydrochloride
Common Name English
NSC-288402
Code English
6aβ-Noraporphine, 9-methoxy-1,2-(methylenedioxy)-, hydrochloride
Systematic Name English
Code System Code Type Description
NSC
288402
Created by admin on Sat Dec 16 19:26:53 GMT 2023 , Edited by admin on Sat Dec 16 19:26:53 GMT 2023
PRIMARY
PUBCHEM
131877438
Created by admin on Sat Dec 16 19:26:53 GMT 2023 , Edited by admin on Sat Dec 16 19:26:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID80611052
Created by admin on Sat Dec 16 19:26:53 GMT 2023 , Edited by admin on Sat Dec 16 19:26:53 GMT 2023
PRIMARY
FDA UNII
Q4GFJ55ZHY
Created by admin on Sat Dec 16 19:26:53 GMT 2023 , Edited by admin on Sat Dec 16 19:26:53 GMT 2023
PRIMARY
CAS
30437-13-9
Created by admin on Sat Dec 16 19:26:53 GMT 2023 , Edited by admin on Sat Dec 16 19:26:53 GMT 2023
PRIMARY
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