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

Details

Stereochemistry UNKNOWN
Molecular Formula C21H28NO6
Molecular Weight 390.4501
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 1
Charge 1

SHOW SMILES / InChI
Structure of LX-201 CATION

SMILES

C\C=C1/C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=C3[C@@H](CC[N+]3(C)C=C2)OC1=O

InChI

InChIKey=SYWYSTAQDCUFOD-UJYLUETQSA-N
InChI=1S/C21H28NO6/c1-6-15-11-13(2)21(4,28-14(3)23)20(25)26-12-16-7-9-22(5)10-8-17(18(16)22)27-19(15)24/h6-7,9,13,17H,8,10-12H2,1-5H3/q+1/b15-6+/t13-,17-,21-,22?/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H28NO6
Molecular Weight 390.4501
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:22:39 GMT 2023
Edited
by admin
on Sat Dec 16 11:22:39 GMT 2023
Record UNII
C867UOE0YR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LX-201 CATION
Common Name English
(1,6)DIOXACYCLODODECINO(2,3,4-GH)PYRROLIZINIUM, 6-(ACETYLOXY)-3-ETHYLIDENE-2,3,4,5,6,7,9,13,14,14A-DECAHYDRO-5,6,12-TRIMETHYL-2,7-DIOXO-, (3E,5R,6R,14AR)-
Systematic Name English
Code System Code Type Description
FDA UNII
C867UOE0YR
Created by admin on Sat Dec 16 11:22:40 GMT 2023 , Edited by admin on Sat Dec 16 11:22:40 GMT 2023
PRIMARY
CAS
71673-82-0
Created by admin on Sat Dec 16 11:22:40 GMT 2023 , Edited by admin on Sat Dec 16 11:22:40 GMT 2023
PRIMARY
PUBCHEM
92135828
Created by admin on Sat Dec 16 11:22:40 GMT 2023 , Edited by admin on Sat Dec 16 11:22:40 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY