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Details

Stereochemistry MIXED
Molecular Formula C19H25NO5
Molecular Weight 347.4055
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL (3AR,4S,7AR)-4-(2-(3,4-DIHYDROXY-3-METHYL-CYCLOHEXA-1,5-DIEN-1-YL)ETHYNYL)-4-HYDROXY-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOLE-1-CARBOXYLATE

SMILES

[H][C@@]12CCC[C@@](O)(C#CC3=CC(C)(O)C(O)C=C3)[C@]1([H])CCN2C(=O)OC

InChI

InChIKey=JFQMVTMWTBPJRE-PRFCVVAOSA-N
InChI=1S/C19H25NO5/c1-18(23)12-13(5-6-16(18)21)7-10-19(24)9-3-4-15-14(19)8-11-20(15)17(22)25-2/h5-6,12,14-16,21,23-24H,3-4,8-9,11H2,1-2H3/t14-,15-,16?,18?,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H25NO5
Molecular Weight 347.4055
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 3 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:09:51 GMT 2023
Edited
by admin
on Sat Dec 16 16:09:51 GMT 2023
Record UNII
YT43QT5GUW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL (3AR,4S,7AR)-4-(2-(3,4-DIHYDROXY-3-METHYL-CYCLOHEXA-1,5-DIEN-1-YL)ETHYNYL)-4-HYDROXY-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOLE-1-CARBOXYLATE
Systematic Name English
MAVOGLURANT METABOLITE M18
Common Name English
Code System Code Type Description
PUBCHEM
156613752
Created by admin on Sat Dec 16 16:09:52 GMT 2023 , Edited by admin on Sat Dec 16 16:09:52 GMT 2023
PRIMARY
FDA UNII
YT43QT5GUW
Created by admin on Sat Dec 16 16:09:52 GMT 2023 , Edited by admin on Sat Dec 16 16:09:52 GMT 2023
PRIMARY
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