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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N2O2.C18H14O8
Molecular Weight 682.7157
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPIQUININE DIBENZOYL-D-TARTRATE

SMILES

[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@@H](O)C3=CC=NC4=CC=C(OC)C=C34.OC(=O)[C@H](OC(=O)C5=CC=CC=C5)[C@@H](OC(=O)C6=CC=CC=C6)C(O)=O

InChI

InChIKey=CYMXYXCVRNSCMT-UKSVLMBSSA-N
InChI=1S/C20H24N2O2.C18H14O8/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-,19-,20-;13-,14-/m01/s1

HIDE SMILES / InChI

Molecular Formula C20H24N2O2
Molecular Weight 324.4168
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C18H14O8
Molecular Weight 358.299
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:42:45 GMT 2023
Edited
by admin
on Sat Dec 16 00:42:45 GMT 2023
Record UNII
N7D0542X6L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPIQUININE DIBENZOYL-D-TARTRATE
Common Name English
EPIQUININE NEUTRAL DIBENZOYL-D-TARTRATE
MI  
Common Name English
EPIQUININE NEUTRAL DIBENZOYL-D-TARTRATE [MI]
Common Name English
EPIQUININE, COMPD. WITH TARTARIC ACID DIBENZOATE (2:1)
Common Name English
CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9S)-, (R-(R*,R*))-2,3-BIS(BENZOYLOXY)BUTANEDIOATE (2:1) (SALT)
Systematic Name English
Code System Code Type Description
CAS
6211-46-7
Created by admin on Sat Dec 16 00:42:45 GMT 2023 , Edited by admin on Sat Dec 16 00:42:45 GMT 2023
PRIMARY
FDA UNII
N7D0542X6L
Created by admin on Sat Dec 16 00:42:45 GMT 2023 , Edited by admin on Sat Dec 16 00:42:45 GMT 2023
PRIMARY
PUBCHEM
90479390
Created by admin on Sat Dec 16 00:42:45 GMT 2023 , Edited by admin on Sat Dec 16 00:42:45 GMT 2023
PRIMARY
MERCK INDEX
m4946
Created by admin on Sat Dec 16 00:42:45 GMT 2023 , Edited by admin on Sat Dec 16 00:42:45 GMT 2023
PRIMARY Merck Index
Related Record Type Details
PARENT -> SALT/SOLVATE