Compound Summary
Compound Information
Prochlorperazine dimaleate
Compound Name: | Prochlorperazine dimaleate |
Compound CID: | 5281032 |
Synonyms: | Prochlorperazine dimaleate |
Iupac Name: | (Z)-but-2-enedioic acid;2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine |
InChI: | InChI=1S/C20H24ClN3S.2C4H4O4/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;2*5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- |
InChIKey: | DSKIOWHQLUWFLG-SPIKMXEPSA-N |
Canonical Smiles: | CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | CN1CCN(CC1)CCCN2C3=C(SC4=CC=CC=C24)C=CC(=C3)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Molecular Weight: | 606.1 |
Molecular Formula: | C28H32ClN3O8S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Prochlorperazine dimaleate
Molecular Weight: | 606.1 |
Molecular Formula: | C28H32ClN3O8S |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 12 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 41 |
Complexity: | 548 |
Synonyms
Prochlorperazine dimaleate
Experimental Data
Prochlorperazine dimaleate
Experimental Data Visualization
Prochlorperazine dimaleate
Statistics Data
Prochlorperazine dimaleate
Statistics Data Visualization
Prochlorperazine dimaleate
