1,4-BIS(DIHYDROQUININE)PHTHALAZINE

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(DIHYDROQUININE)PHTHALAZINE

Structure Search

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-PDNPBWJSSA-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

Molecular Formula	C48H54N6O4
Molecular Weight	778.9802
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:10:07 GMT 2025` Edited by `admin` on `Wed Apr 02 08:10:07 GMT 2025`
Record UNII	KJI6YFS0C8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,4-BIS(DIHYDROQUININE)PHTHALAZINE

Common Name

English

(DHQ)2PHAL

Preferred Name

English

CINCHONAN, 9,9''-(1,4-PHTHALAZINEDIYLBIS(OXY))BIS(10,11-DIHYDRO-6'-METHOXY-, (8.ALPHA.,9R)-(8''.ALPHA.,9''R)-

Systematic Name

English

(DHQ)2PHAL [MI]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90679582