Nevirapine EP Impurity A

CAT: 1299-RM-N230001-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N230001-01Size:10 mg

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CAS Number

133627-17-5

Synonyms

11-ethyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

Molecular Formula

C14H14N4O

Molecular Weight

254.29

Target Alternative Name

Nevirapine

Product Name Synonym

11-ethyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

Chemical Information

Unii-O3pen5V8WL

CAS Number	133627-17-5
PubChem CID	453331
IUPAC Name	2-ethyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Molecular Formula	C14H14N4O
Molecular Weight	254.29
XLogP	1.8
Topological Polar Surface Area	58.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	348

SMILES

CCN1C2=C(C=CC=N2)C(=O)NC3=C(C=CN=C31)C

InChI

InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)

InChIKey

HDVZWQWXAQRFKJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 133627-17-5

CID: 453331

Formula: C14H14N4O

MW: 254.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.29
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	254.11676108
Monoisotopic Mass	254.11676108
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	348
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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