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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H13NO3
Molecular Weight 171.1937
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISATINECINE

SMILES

[H][C@@]12[C@H](O)CC[N@+]1([O-])CC=C2CO

InChI

InChIKey=VUMAFSXBFDKENO-IWSPIJDZSA-N
InChI=1S/C8H13NO3/c10-5-6-1-3-9(12)4-2-7(11)8(6)9/h1,7-8,10-11H,2-5H2/t7-,8-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H13NO3
Molecular Weight 171.1937
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:24:56 GMT 2023
Edited
by admin
on Sat Dec 16 08:24:56 GMT 2023
Record UNII
40VJD3FNDD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISATINECINE
Common Name English
RETRONECINE N-OXIDE
Common Name English
1H-PYRROLIZINE-7-METHANOL, 2,3,5,7A-TETRAHYDRO-1-HYDROXY-, 4-OXIDE, (1R,4S,7AR)-
Systematic Name English
RETRONECINE OXIDE
Common Name English
Code System Code Type Description
FDA UNII
40VJD3FNDD
Created by admin on Sat Dec 16 08:24:56 GMT 2023 , Edited by admin on Sat Dec 16 08:24:56 GMT 2023
PRIMARY
PUBCHEM
5745210
Created by admin on Sat Dec 16 08:24:56 GMT 2023 , Edited by admin on Sat Dec 16 08:24:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID50218830
Created by admin on Sat Dec 16 08:24:56 GMT 2023 , Edited by admin on Sat Dec 16 08:24:56 GMT 2023
PRIMARY
CAS
6870-33-3
Created by admin on Sat Dec 16 08:24:56 GMT 2023 , Edited by admin on Sat Dec 16 08:24:56 GMT 2023
PRIMARY