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Delavirdine structure, CAS 147221-93-0

Delavirdine

CAS Number147221-93-0

SynonymsDELAVIRDINE, MESYLATE; delavirdine mesilate [INN_en]; DELAVIRDINE MESYLATE; Delavirdine monomethanesulfonate; Delavirdine (mesylate)

Molecular FormulaC23H32N6O6S2

Molecular Weight552.68

Purity98%

Density

Boiling Point732ºC at 760mmHg

Melting Point118-120ºC

Flash Point

Appearance

EINECS

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Cat. No.: 2A-9010036 Purity: 98%
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Quality Control of [ 147221-93-0 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number147221-93-0
Catalog No.2A-9010036
Chinese Name地拉夫定甲磺酸盐
SynonymsDELAVIRDINE, MESYLATE; delavirdine mesilate [INN_en]; DELAVIRDINE MESYLATE; Delavirdine monomethanesulfonate; Delavirdine (mesylate)
Molecular FormulaC23H32N6O6S2
Molecular Weight552.68
Purity98
Boiling Point732ºC at 760mmHg
Melting Point118-120ºC
Storage Condition2-8℃
ApplicationDelavirdine mesylate is a potent non-nucleoside HIV-1 reverse transcriptase inhibitor (NNRTI).
MDL NumberC23H32N6O6S2
SMILESCC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CS(=O)(=O)O
InChIInChI=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)
InChI KeyMEPNHSOMXMALDZ-UHFFFAOYSA-N
Hazard SymbolsTransport
MSDSmsds/10036_1_147221_93_0.pdf
BioactivityDelavirdine mesylate is a potent non-nucleoside HIV-1 reverse transcriptase inhibitor (NNRTI) of HIV-1. Related Catalog Signaling Pathways >> Anti-infection >> HIV Signaling Pathways >> Anti-infection >> Reverse Transcriptase Research Areas >> Infection References [1]. Dueweke TJ, et al. U-90152, a potent inhibitor of human immunodeficiency virus type 1 replication. Antimicrob Agents Chemother. 1993 May;37(5):1127-31. [2]. Voorman RL, et al. Interaction of delavirdine with human liver microsomal cytochrome P450: inhibition of CYP2C9, CYP2C19, and CYP2D6. Drug Metab Dispos. 2001 Jan;29(1):41-7. [3]. Shelton MJ, et al. Pharmacokinetics of ritonavir and delavirdine in human immunodeficiency virus-infected patients. Antimicrob Agents Chemother. 2003 May;47(5):1694-9. Chemical & Physical Properties Boiling Point 732ºC at 760mmHg Melting Point 118-120ºC Molecular Formula C23H32N6O6S2 Molecular Weight 552.667 Flash Point 396.5ºC Exact Mass 552.182495 PSA 181.56000 LogP 4.53160 Vapour Pressure 2.74E-21mmHg at 25°C InChIKey MEPNHSOMXMALDZ-UHFFFAOYSA-N SMILES CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CS(=O)(=O)O Storage condition 2-8℃
Use ofDelavirdine mesylate is a potent non-nucleoside HIV-1 reverse transcriptase inhibitor (NNRTI) of HIV-1. Properties Articles28 Name delavirdine mesylate Synonym More Synonyms DELAVIRDINE MESYLATE Biological Activity Description Delavirdine mesylate is a potent non-nucleoside HIV-1 reverse transcriptase inhibitor (NNRTI) of HIV-1. Related Catalog Signaling Pathways >> Anti-infection >> HIV Signaling Pathways >> Anti-infection >> Reverse Transcriptase Research Areas >> Infection References [1]. Dueweke TJ, et al. U-90152, a potent inhibitor of human immunodeficiency virus type 1 replication. Antimicrob Agents Chemother. 1993 May;37(5):1127-31. [3]. Shelton MJ, et al. Pharmacokinetics of ritonavir and delavirdine in human immunodeficiency virus-infected patients. Antimicrob Agents Chemother. 2003 May;47(5):1694-9. Chemical & Physical Properties Molecular Formula C23H32N6O6S2 Exact Mass 552.182495 PSA 181.56000 LogP 4.53160 InChIKey MEPNHSOMXMALDZ-UHFFFAOYSA-N Storage condition 2-8℃
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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