Nifedipine Impurity E

CAT: 1299-RM-N060405-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N060405-02Size:25 mg

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CAS Number

114709-68-1

Synonyms

5- (Aminocarbonyl) -1,4-dihydro-2,6-dimethyl-4- (2-nitrophenyl) -3-pyridinecarboxylic Acid Methyl Ester, Nifedipine Impurity 1

Molecular Formula

C16H17N3O5

Molecular Weight

331.32

Target Alternative Name

Nifedipine

Product Name Synonym

5- (Aminocarbonyl) -1,4-dihydro-2,6-dimethyl-4- (2-nitrophenyl) -3-pyridinecarboxylic Acid Methyl Ester, Nifedipine Impurity 1

Chemical Information

Nifedipine Monoamide

CAS Number	114709-68-1
PubChem CID	118989516
IUPAC Name	methyl 5-carbamoyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Molecular Formula	C16H17N3O5
Molecular Weight	331.32
XLogP	1.2
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	632

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C16H17N3O5/c1-8-12(15(17)20)14(13(9(2)18-8)16(21)24-3)10-6-4-5-7-11(10)19(22)23/h4-7,14,18H,1-3H3,(H2,17,20)

InChIKey

XWBOVLISSVULHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 114709-68-1

CID: 118989516

Formula: C16H17N3O5

MW: 331.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	331.32
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	331.11682065
Monoisotopic Mass	331.11682065
Topological Polar Surface Area	127 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	632
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
RM-B140405-01	Benidipine Impurity E; Nifedipine EP Impurity D
RM-N060443-01	Nifedipine Impurity 43
RM-N060440-01	Nifedipine Impurity 40
RM-N060429-01	Nifedipine Impurity 3
RM-N060434-01	Nifedipine Impurity 8
RM-N060448-01	Nifedipine Impurity 48
RM-N060452-01	Nifedipine Impurity 52
RM-N060453-01	Nifedipine Impurity 53
RM-N060437-01	Nifedipine Impurity 11
RM-N060472-01	Nifedipine Impurity 72

Catalog	Name
007819-01	Dehydro Nifedipine (Nifedipine EP Impurity A)
AR-N08671-01	Nifedipine Impurity 23
AR-N01496-01	Nifedipine Impurity 6
AR-N08669-01	Nifedipine Impurity 19
AR-N08663-01	Nifedipine Impurity 21
AR-N08658-01	Nifedipine Impurity 15
AR-N08662-01	Nifedipine Impurity 20
AR-N08672-01	Nifedipine Impurity 26
AR-N08660-01	Nifedipine Impurity 17
AR-N08666-01	Nifedipine Impurity 27