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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H15NO
Molecular Weight 177.2429
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,7-Dihydro-4-(methoxymethyl)-7-methyl-5H-cyclopenta[c]pyridine, (7S)-

SMILES

COCC1=CN=CC2=C1CC[C@@H]2C

InChI

InChIKey=ZRJLCVQCZVXUFB-QMMMGPOBSA-N
InChI=1S/C11H15NO/c1-8-3-4-10-9(7-13-2)5-12-6-11(8)10/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H15NO
Molecular Weight 177.2429
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 15:40:39 GMT 2023
Edited
by admin
on Sat Dec 16 15:40:39 GMT 2023
Record UNII
VZV3V7T7GA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,7-Dihydro-4-(methoxymethyl)-7-methyl-5H-cyclopenta[c]pyridine, (7S)-
Systematic Name English
(-)-6,7-Dihydro-4-(methoxymethyl)-7-methyl-5H-cyclopenta[c]pyridine
Systematic Name English
5H-Cyclopenta[c]pyridine, 6,7-dihydro-4-(methoxymethyl)-7-methyl-, (7S)-
Systematic Name English
5H-Cyclopenta[c]pyridine, 6,7-dihydro-4-(methoxymethyl)-7-methyl-, (-)-
Systematic Name English
(7S)-4-(METHOXYMETHYL)-7-METHYL-6,7-DIHYDRO-5H-CYCLOPENTA(C)PYRIDINE
Systematic Name English
Valerianin
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50952904
Created by admin on Sat Dec 16 15:40:39 GMT 2023 , Edited by admin on Sat Dec 16 15:40:39 GMT 2023
PRIMARY
CAS
30634-66-3
Created by admin on Sat Dec 16 15:40:39 GMT 2023 , Edited by admin on Sat Dec 16 15:40:39 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
442555
Created by admin on Sat Dec 16 15:40:39 GMT 2023 , Edited by admin on Sat Dec 16 15:40:39 GMT 2023
PRIMARY
CAS
2112809-96-6
Created by admin on Sat Dec 16 15:40:39 GMT 2023 , Edited by admin on Sat Dec 16 15:40:39 GMT 2023
PRIMARY
FDA UNII
VZV3V7T7GA
Created by admin on Sat Dec 16 15:40:39 GMT 2023 , Edited by admin on Sat Dec 16 15:40:39 GMT 2023
PRIMARY