Basic information
- CAS
197840-96-3- Standard SMILES
O=c1c2ccccc2n2nnc3ccc(NCCCN4CCN(CCCNc5ccc6nnn7c8ccccc8c(=O)c5c67)CC4)c1c32- InChIKey
BESDYXOPYOAWRZ-UHFFFAOYSA-N- Molecular formula
- C36H34N10O2
- Average molar mass
- 638.7 g/mol
- Monoisotopic mass
- 638.28662037
Overview
inhibits HIV-1 transcription; structure in first source
Names & identifiers
- Preferred name
- 5,5'-(1,4-Piperazinediylbis(3,1-propanediylimino))bis(6H-(1,2,3)triazolo(4,5,1-de)acridin-6-one)
- IUPAC
- 10-[3-[4-[3-[(8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propyl]piperazin-1-yl]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
Names & synonyms
TemacrazineWMC-70CTP875NP5V197840-96-3NSC 6870256H-(1,2,3)Triazolo(4,5,1-de)acridin-6-one, 5,5'-(1,4-piperazinediylbis(3,1-propanediylimino))bis-DTXSID70173492NSC-682405NSC-6870255,5'-(1,4-Piperazinediylbis(3,1-propanediylimino))bis(6H-(1,2,3)triazolo(4,5,1-de)acridin-6-one)5,5'-[1,4-Piperazinediylbis(3,1-propanediylimino)]bis[6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one]6H-[1,2,3]Triazolo[4,5,1-de]acridin-6-one, 5,5'-[1,4-piperazinediylbis(3,1-propanediylimino)]bis-
Show more names
RefChem:912917DTXCID30959831,4-bis(3-(6-oxo-6H-v-triazolo(4,5,1-de)acridin-5-yl)aminopropyl)piperazineUNII-CTP875NP5VNSC 682405CHEMBL1688540SCHEMBL1425945710-[3-[4-[3-[(8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propyl]piperazin-1-yl]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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