Olanzapine Impurity E

CAT: 1299-RM-O122605-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O122605-04Size:100 mg

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CAS Number

2518067-58-6

Synonyms

2-methyl-4- (4-methylpiperazin-1-yl) -10H-benzo[b]thieno[2,3-e][1,4]diazepine 5-oxide

Molecular Formula

C17H20N4OS

Molecular Weight

328.43

Target Alternative Name

Olanzapine

Product Name Synonym

2-methyl-4- (4-methylpiperazin-1-yl) -10H-benzo[b]thieno[2,3-e][1,4]diazepine 5-oxide

Chemical Information

OlanzapineN-Oxide

CAS Number	2518067-58-6
PubChem CID	92043101
IUPAC Name	5-hydroxy-2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine
Molecular Formula	C17H20N4OS
Molecular Weight	328.4
XLogP	2.5
Topological Polar Surface Area	67.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	577

SMILES

CC1=CC2=C(N(C3=CC=CC=C3N=C2S1)O)N4CCN(CC4)C

InChI

InChI=1S/C17H20N4OS/c1-12-11-13-16(23-12)18-14-5-3-4-6-15(14)21(22)17(13)20-9-7-19(2)8-10-20/h3-6,11,22H,7-10H2,1-2H3

InChIKey

TURQBDXLVGSLAC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2518067-58-6

CID: 92043101

Formula: C17H20N4OS

MW: 328.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.4
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	328.13578245
Monoisotopic Mass	328.13578245
Topological Polar Surface Area	67.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	577
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

Catalog	Name
RM-O122610-01	Olanzapine Impurity J; Olanzapine lactam
RM-O122647-01	Olanzapine Impurity 21
RM-O122652-01	Olanzapine Impurity 24
RM-O122653-01	Olanzapine Impurity 25
RM-O122661-01	Olanzapine Impurity 33
RM-O122630-01	Olanzapine Impurity 4
RM-O122631-01	Olanzapine Impurity 5
RM-O122635-01	Olanzapine Impurity 9
RM-O122621-01	Olanzapine Impurity I
RM-O122641-01	Olanzapine Impurity 15

Catalog	Name
AR-O01150-01	Olanzapine Impurity A
AR-O01162-01	Olanzapine Impurity 4 (Olanzapine Acetoxymethylidene)
sc-361833C	Olanzapine Thiolactam Impurity
AR-O08959-01	Olanzapine Impurity 21
AR-O08977-01	Olanzapine Impurity 36
AR-O01160-01	Olanzapine Impurity 3
AR-O01151-01	Olanzapine Amino Impurity
TRC-O253765-10MG	Olanzapine Lactam Impurity
AR-O08957-01	Olanzapine Impurity 13
AR-O08958-01	Olanzapine Impurity 15