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Delavirdine mesylate

CAT: 0926-FD20974-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FD20974-01Size:10 mg
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CAS Number
147221-93-0
Synonyms
N-[2-[[4-[3-[ (1-Methylethyl) amino]-2-pyridinyl]-1-piperazinyl]carbonyl]-1H-indol-5-yl]methanesulfonamide methanesulfonate; U-90152S
MDL Number
MFCD00866948
Smiles
CC (C) NC1=C (N=CC=C1) N2CCN (CC2) C (=O) C3=CC4=C (N3) C=CC (=C4) NS (=O) (=O) C.CS (=O) (=O) O
Molecular Formula
C23H32N6O6S2
Controlled
No

Chemical Information

Delavirdine Mesylate

Delavirdine mesylate is the monomethanesulfonic acid salt of delavirdine, a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. Viral resistance emerges rapidly when delavirdine is used alone, so it is therefore used (as the methanesulfonic acid salt) with other antiretrovirals for combination therapy of HIV infection. It has a role as an antiviral drug and a HIV-1 reverse transcriptase inhibitor. It contains a delavirdine.

CAS Number147221-93-0
PubChem CID441386
IUPAC Namemethanesulfonic acid;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Molecular FormulaC23H32N6O6S2
Molecular Weight552.7
Topological Polar Surface Area182
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity842
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C.CS(=O)(=O)O
InChI
InChI=1S/C22H28N6O3S.CH4O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-5(2,3)4/h4-8,13-15,24-26H,9-12H2,1-3H3;1H3,(H,2,3,4)
InChIKey
MEPNHSOMXMALDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Delavirdine Mesylate
CAS: 147221-93-0
CID: 441386
Formula: C23H32N6O6S2
MW: 552.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass552.18247511
Monoisotopic Mass552.18247511
Topological Polar Surface Area182 Ų
Heavy Atom Count37
Formal Charge0
Complexity842
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B1050-200Delavirdine mesylate
HY-10571A-01Delavirdine (mesylate)
A13274-10Delavirdine mesylate 10mg
A13274-250Delavirdine mesylate 250mg
A13274-50Delavirdine mesylate 50mg
A13274-5Delavirdine mesylate 5mg
A13274-100Delavirdine mesylate 100mg
HY-10571ARDelavirdine (mesylate) (Standard)

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