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

Details

Stereochemistry ABSOLUTE
Molecular Formula C48H54N6O4
Molecular Weight 778.9802
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-BIS(DIHYDROQUINIDINE)PHTHALAZINE

SMILES

CC[C@H]1C[N@@]2CC[C@H]1C[C@@H]2[C@@H](OC3=C4C=CC=CC4=C(O[C@H]([C@H]5C[C@@H]6CC[N@]5C[C@@H]6CC)C7=CC=NC8=CC=C(OC)C=C78)N=N3)C9=CC=NC%10=CC=C(OC)C=C9%10

InChI

InChIKey=YUCBLVFHJWOYDN-HVLQGHBFSA-N
InChI=1S/C48H54N6O4/c1-5-29-27-53-21-17-31(29)23-43(53)45(35-15-19-49-41-13-11-33(55-3)25-39(35)41)57-47-37-9-7-8-10-38(37)48(52-51-47)58-46(44-24-32-18-22-54(44)28-30(32)6-2)36-16-20-50-42-14-12-34(56-4)26-40(36)42/h7-16,19-20,25-26,29-32,43-46H,5-6,17-18,21-24,27-28H2,1-4H3/t29-,30-,31-,32-,43+,44+,45-,46-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1,4-BIS(DIHYDROQUINIDINE)PHTHALAZINE
Common Name English
(DHQD)2PHAL
Preferred Name English
CINCHONAN, 9,9''-(1,4-PHTHALAZINEDIYLBIS(OXY))BIS(10,11-DIHYDRO-6'-METHOXY-, (9S)-(9''S)-
Systematic Name English
(DHQD)2PHAL [MI]
Common Name English
Code System Code Type Description
PUBCHEM
11217202
Created by admin on Wed Apr 02 08:03:00 GMT 2025 , Edited by admin on Wed Apr 02 08:03:00 GMT 2025
PRIMARY
FDA UNII
W4JCP4V5TH
Created by admin on Wed Apr 02 08:03:00 GMT 2025 , Edited by admin on Wed Apr 02 08:03:00 GMT 2025
PRIMARY
CAS
140853-10-7
Created by admin on Wed Apr 02 08:03:00 GMT 2025 , Edited by admin on Wed Apr 02 08:03:00 GMT 2025
PRIMARY
EPA CompTox
DTXSID30458959
Created by admin on Wed Apr 02 08:03:00 GMT 2025 , Edited by admin on Wed Apr 02 08:03:00 GMT 2025
PRIMARY
MERCK INDEX
m11819
Created by admin on Wed Apr 02 08:03:00 GMT 2025 , Edited by admin on Wed Apr 02 08:03:00 GMT 2025
PRIMARY