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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H38N2O4
Molecular Weight 418.5695
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro2H-benzo[a]quinolizin-2-yl L-valinate

SMILES

[H][C@@]12C[C@H](OC(=O)[C@@H](N)C(C)C)[C@@H](CC(C)C)CN1CCC3=CC(OC)=C(OC)C=C23

InChI

InChIKey=GEJDGVNQKABXKG-UDSSINMLSA-N
InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H38N2O4
Molecular Weight 418.5695
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:01:39 GMT 2023
Edited
by admin
on Sat Dec 16 19:01:39 GMT 2023
Record UNII
XBB5HA327R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro2H-benzo[a]quinolizin-2-yl L-valinate
Systematic Name English
L-Valine, (2S,3S,11bS)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester
Systematic Name English
Code System Code Type Description
FDA UNII
XBB5HA327R
Created by admin on Sat Dec 16 19:01:40 GMT 2023 , Edited by admin on Sat Dec 16 19:01:40 GMT 2023
PRIMARY
PUBCHEM
118922807
Created by admin on Sat Dec 16 19:01:40 GMT 2023 , Edited by admin on Sat Dec 16 19:01:40 GMT 2023
PRIMARY