N-Nitroso Promethazine EP Impurity C

CAT: 1596-AR-P29780-01Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P29780-01Size:50 Units

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CAS Number

94511-44-1

Synonyms

N- (1- (10H-Phenothiazin-10-yl) propan-2-yl) -N-methylnitrous amide

Molecular Formula

C16H17N3OS

Molecular Weight

299.39

API Name

Promethazine

Chemical Information

N-nitroso-desmethyl-promethazine

CAS Number	94511-44-1
PubChem CID	171381101
IUPAC Name	N-methyl-N-(1-phenothiazin-10-ylpropan-2-yl)nitrous amide
Molecular Formula	C16H17N3OS
Molecular Weight	299.4
XLogP	4.7
Topological Polar Surface Area	61.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	345

SMILES

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)N=O

InChI

InChI=1S/C16H17N3OS/c1-12(18(2)17-20)11-19-13-7-3-5-9-15(13)21-16-10-6-4-8-14(16)19/h3-10,12H,11H2,1-2H3

InChIKey

JIRNXXOVPUOGGK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 94511-44-1

CID: 171381101

Formula: C16H17N3OS

MW: 299.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.4
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	299.10923335
Monoisotopic Mass	299.10923335
Topological Polar Surface Area	61.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	345
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P29896-01	N-Nitroso Promethazine EP Impurity A
AR-P08032-01	Promethazine EP Impurity C
AR-P03005-01	Promethazine EP Impurity A
AR-P07930-01	Promethazine EP Impurity B
AR-L07189-01	N-Nitroso Lidocaine EP Impurity C
AR-F09452-01	N-Nitroso Fluvoxamine EP Impurity C
AR-L07667-01	N-Nitroso Loperamide EP Impurity C
AR-L06364-01	N-Nitroso Labetalol EP Impurity C
AR-G02762-01	N-Nitroso Granisetron EP Impurity C
AR-D07677-01	N-Nitroso Doxepin EP Impurity C

Catalog	Name
CS-EO-02605	N-Nitroso Promethazine Impurity
CS-O-50265	Promethazine Sulfoxide N-Nitroso Impurity
RM-P132645-01	Promethazine Nitroso Impurity 45
RM-P132636-01	Promethazine Nitroso Impurity 36
RM-P132635-01	Promethazine Nitroso Impurity 35
RM-P132634-01	Promethazine Nitroso Impurity 34
RM-P132647-01	Promethazine Nitroso Impurity 47
RM-P132641-01	Promethazine Nitroso Impurity 41
RG-A263247-01	N-Nitroso-Desmethyl-Promethazine
TRC-D393950-10MG	N-Desmethyl,-N-nitroso-promethazine