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UC-84

CAT: 0804-HY-105489Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-105489Size:1 Each
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Description
UC-84 (NSC-615985) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) with anti-HIV activity[1].
CAS Number
135812-04-3
Product Name Alternative
NSC-615985
UNSPSC
12352005
Target
HIV; Reverse Transcriptase
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
O=C(C1=C(OCCS1)C)NC2=CC(C(OC(C)C)=O)=C(Cl)C=C2
Molecular Formula
C16H18ClNO4S
Molecular Weight
355.84
References & Citations
[1]Nomeir AA, et al. Liquid chromatographic analysis in mouse, dog and human plasma; stability, absorption, metabolism and pharmacokinetics of the anti-HIV agent 2-chloro-5- (2-methyl-5,6-dihydro-1,4-oxathiin-3-yl carboxamido) isopropylbenzoate (NSC 615985, UC84) . J Pharm Biomed Anal. 1998 May;17 (1) :27-38.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-Methyl ethyl 1-chloro-5-(((5,6dihydro-2-methyl-1,4-oxathiin-3-YL)carbonyl)amino)benzoate
CAS Number135812-04-3
PubChem CID1385
IUPAC Namepropan-2-yl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate
Molecular FormulaC16H18ClNO4S
Molecular Weight355.8
XLogP3.4
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity494
SMILES
CC1=C(SCCO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C
InChI
InChI=1S/C16H18ClNO4S/c1-9(2)22-16(20)12-8-11(4-5-13(12)17)18-15(19)14-10(3)21-6-7-23-14/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)
InChIKey
FMQGUMRNTBJHEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl ethyl 1-chloro-5-(((5,6dihydro-2-methyl-1,4-oxathiin-3-YL)carbonyl)amino)benzoate
CAS: 135812-04-3
CID: 1385
Formula: C16H18ClNO4S
MW: 355.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.8
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass355.0645069
Monoisotopic Mass355.0645069
Topological Polar Surface Area89.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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