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Details

Stereochemistry EPIMERIC
Molecular Formula 2C20H24N2O2.C3H9O6P
Molecular Weight 820.9072
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUININE 1-GLYCEROPHOSPHATE

SMILES

OCC(O)COP(O)(O)=O.[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C3=C4C=C(OC)C=CC4=NC=C3.[H][C@]5(C[C@@H]6CC[N@]5C[C@@H]6C=C)[C@H](O)C7=C8C=C(OC)C=CC8=NC=C7

InChI

InChIKey=YZDDKALBXAGVHK-VMJVVOMYSA-N
InChI=1S/2C20H24N2O2.C3H9O6P/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;4-1-3(5)2-9-10(6,7)8/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-5H,1-2H2,(H2,6,7,8)/t2*13-,14-,19-,20+;/m00./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
QUININE 1-GLYCEROPHOSPHATE
Common Name English
1,2,3-PROPANETRIOL, 1-(DIHYDROGEN PHOSPHATE), COMPD. WITH (8.ALPHA.,9R)-6'-METHOXYCINCHONAN-9-OL (1:2)
Common Name English
CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, COMPD. WITH 2,3-DIHYDROXYPROPYL DIHYDROGEN PHOSPHATE (2:1)
Common Name English
QUININE, COMPD. WITH 1-GLYCEROPHOSPHORIC ACID (2:1)
Common Name English
Code System Code Type Description
SMS_ID
300000026151
Created by admin on Fri Dec 15 15:01:58 GMT 2023 , Edited by admin on Fri Dec 15 15:01:58 GMT 2023
PRIMARY
CAS
146-39-4
Created by admin on Fri Dec 15 15:01:58 GMT 2023 , Edited by admin on Fri Dec 15 15:01:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID10932742
Created by admin on Fri Dec 15 15:01:58 GMT 2023 , Edited by admin on Fri Dec 15 15:01:58 GMT 2023
PRIMARY
FDA UNII
9212688A9J
Created by admin on Fri Dec 15 15:01:58 GMT 2023 , Edited by admin on Fri Dec 15 15:01:58 GMT 2023
PRIMARY
PUBCHEM
118984347
Created by admin on Fri Dec 15 15:01:58 GMT 2023 , Edited by admin on Fri Dec 15 15:01:58 GMT 2023
PRIMARY