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Details

Stereochemistry EPIMERIC
Molecular Formula C22H28N2O5
Molecular Weight 400.4681
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-CARBOXY-16,17-DIHYDROMITRAGYNINE

SMILES

[H][C@@]12C[C@H]([C@H](C(O)=O)C(=O)OC)[C@H](CC)CN1CCC3=C2NC4=C3C(OC)=CC=C4

InChI

InChIKey=INIORAKYNNQAIN-DQGXJECDSA-N
InChI=1S/C22H28N2O5/c1-4-12-11-24-9-8-13-18-15(6-5-7-17(18)28-2)23-20(13)16(24)10-14(12)19(21(25)26)22(27)29-3/h5-7,12,14,16,19,23H,4,8-11H2,1-3H3,(H,25,26)/t12-,14+,16+,19?/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H28N2O5
Molecular Weight 400.4681
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:50:34 GMT 2023
Edited
by admin
on Sat Dec 16 18:50:34 GMT 2023
Record UNII
CUX9JXG34F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-CARBOXY-16,17-DIHYDROMITRAGYNINE
Common Name English
PROPANEDIOIC ACID, 2-((2S,3S,12BS)-3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-METHOXYINDOLO(2,3-A)QUINOLIZIN-2-YL)-, 1-METHYL ESTER
Systematic Name English
Code System Code Type Description
CAS
1224430-05-0
Created by admin on Sat Dec 16 18:50:34 GMT 2023 , Edited by admin on Sat Dec 16 18:50:34 GMT 2023
PRIMARY
PUBCHEM
162625112
Created by admin on Sat Dec 16 18:50:34 GMT 2023 , Edited by admin on Sat Dec 16 18:50:34 GMT 2023
PRIMARY
FDA UNII
CUX9JXG34F
Created by admin on Sat Dec 16 18:50:34 GMT 2023 , Edited by admin on Sat Dec 16 18:50:34 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE