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Details

Stereochemistry ACHIRAL
Molecular Formula C22H27N5
Molecular Weight 361.4833
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PAZELLIPTINE

SMILES

CCN(CC)CCCNC1=NC=CC2=C(C)C3=C(C=C12)C4=C(N3)C=CN=C4

InChI

InChIKey=LPHSYQSMAGVYNT-UHFFFAOYSA-N
InChI=1S/C22H27N5/c1-4-27(5-2)12-6-9-24-22-18-13-17-19-14-23-10-8-20(19)26-21(17)15(3)16(18)7-11-25-22/h7-8,10-11,13-14,26H,4-6,9,12H2,1-3H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C22H27N5
Molecular Weight 361.4833
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Pazelliptine (previously known as BD 40 or SR 95225A) was developed as an antitumor drug that binds to the DNA sequence, preferable to G-C rich region and thus produces cellular DNA lesions. This drug was undergoing phase II trials in France for the treatment of cancer. However, this study was discontinued.

Approval Year

PubMed

Substance Class Chemical
Record UNII
2CSP4U82HK
Record Status Validated (UNII)
Record Version