Chlorpromazine Impurity 48

CAT: 1299-RM-C081248-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-C081248-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

165454-33-1

Synonyms

(5aS,11aS) -5a,6,11a,12-tetrahydrobenzo[b]benzo[5,6][1,4]thiazino[2,3-e][1,4]thiazine

Molecular Formula

C14H12N2S2

Molecular Weight

272.38

Target Alternative Name

Chlorpromazine

Chemical Information

Chlorpromazine Impurity 48

CAS Number	165454-33-1
PubChem CID	178245471
IUPAC Name	(5aS,11aS)-5a,6,11a,12-tetrahydro-[1,4]benzothiazino[3,2-b][1,4]benzothiazine
Molecular Formula	C14H12N2S2
Molecular Weight	272.4
XLogP	4.5
Topological Polar Surface Area	74.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	282

SMILES

C1=CC=C2C(=C1)N[C@@H]3[C@H](S2)NC4=CC=CC=C4S3

InChI

InChI=1S/C14H12N2S2/c1-3-7-11-9(5-1)15-13-14(17-11)16-10-6-2-4-8-12(10)18-13/h1-8,13-16H/t13-,14-/m0/s1

InChIKey

JZRRMCREKKIMCC-KBPBESRZSA-N

Chemical Structure

2D Structure

CAS: 165454-33-1

CID: 178245471

Formula: C14H12N2S2

MW: 272.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	272.4
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	272.04419074
Monoisotopic Mass	272.04419074
Topological Polar Surface Area	74.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	282
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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-C081212-01	Chlorpromazine Impurity 12
RM-C081201-01	Chlorpromazine EP Impurity A
RM-C081211-01	Chlorpromazine Impurity 11
RM-C081208-01	Chlorpromazine Impurity 8
RM-C081207-01	Chlorpromazine Impurity 7
RM-C081246-01	Chlorpromazine Nitroso Impurity 46
RM-C081209-01	Chlorpromazine EP Impurity F
RM-C081247-01	Chlorpromazine Nitroso Impurity 47
RM-C081245-01	Chlorpromazine Nitroso Impurity 45
RM-C081213-01	Chlorpromazine Nitroso Impurity 13

Catalog	Name
AR-C07247-01	Chlorpromazine Impurity 2
AR-C02515-01	Chlorpromazine EP Impurity A
AR-C07244-01	Chlorpromazine Impurity 3
AR-C07240-01	Chlorpromazine Impurity 1
AR-C02519-01	Chlorpromazine EP Impurity E
IC176065	Chlorpromazine EP Impurity F
AR-C02521-01	Chlorpromazine EP Impurity B DiHCl
AR-C02522-01	Chlorpromazine EP Impurity F HCl
AR-C02523-01	Chlorpromazine EP Impurity D HCl
AR-C05604-01	N-Nitroso Chlorpromazine EP Impurity E