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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19NO3
Molecular Weight 237.2949
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PELLOTINE

SMILES

COC1=C(OC)C(O)=C2[C@H](C)N(C)CCC2=C1

InChI

InChIKey=NKHMWHLJHODBEP-QMMMGPOBSA-N
InChI=1S/C13H19NO3/c1-8-11-9(5-6-14(8)2)7-10(16-3)13(17-4)12(11)15/h7-8,15H,5-6H2,1-4H3/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H19NO3
Molecular Weight 237.2949
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 10:44:12 GMT 2023
Edited
by admin
on Sat Dec 16 10:44:12 GMT 2023
Record UNII
7RW0YY488A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PELLOTINE
MI  
Common Name English
PELLOTINE, (+)-
Common Name English
PELLOTIN
Common Name English
PELLOTINE [MI]
Common Name English
(+)-PELLOTINE
Common Name English
8-ISOQUINOLINOL, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1,2-DIMETHYL-, (1S)-
Systematic Name English
N-METHYLANHALONIDINE
Common Name English
8-HYDROXY-6,7-DIMETHOXY-1,2-DIMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE
Systematic Name English
Code System Code Type Description
MERCK INDEX
m8453
Created by admin on Sat Dec 16 10:44:12 GMT 2023 , Edited by admin on Sat Dec 16 10:44:12 GMT 2023
PRIMARY Merck Index
WIKIPEDIA
Pellotine
Created by admin on Sat Dec 16 10:44:12 GMT 2023 , Edited by admin on Sat Dec 16 10:44:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID301018970
Created by admin on Sat Dec 16 10:44:12 GMT 2023 , Edited by admin on Sat Dec 16 10:44:12 GMT 2023
PRIMARY
CAS
83-14-7
Created by admin on Sat Dec 16 10:44:12 GMT 2023 , Edited by admin on Sat Dec 16 10:44:12 GMT 2023
PRIMARY
FDA UNII
7RW0YY488A
Created by admin on Sat Dec 16 10:44:12 GMT 2023 , Edited by admin on Sat Dec 16 10:44:12 GMT 2023
PRIMARY
PUBCHEM
12314029
Created by admin on Sat Dec 16 10:44:12 GMT 2023 , Edited by admin on Sat Dec 16 10:44:12 GMT 2023
PRIMARY