Products for Research Use Only
RegisterLogin

Cinitapride Impurity 7

CAT: 1299-RM-C231007-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-C231007-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1361312-48-2
Synonyms
4- (4-amino-2-ethoxy-5-nitrobenzamido) -1- (cyclohex-3-en-1-ylmethyl) piperidine 1-oxide
Molecular Formula
C21H30N4O5
Molecular Weight
418.49
Target Alternative Name
Cinitapride
Product Name Synonym
4- (4-amino-2-ethoxy-5-nitrobenzamido) -1- (cyclohex-3-en-1-ylmethyl) piperidine 1-oxide

Chemical Information

4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)-1-oxidopiperidin-1-ium-4-yl]-2-ethoxy-5-nitrobenzamide
CAS Number1361312-48-2
PubChem CID129850164
IUPAC Name4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)-1-oxidopiperidin-1-ium-4-yl]-2-ethoxy-5-nitrobenzamide
Molecular FormulaC21H30N4O5
Molecular Weight418.5
XLogP3
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity629
SMILES
CCOC1=CC(=C(C=C1C(=O)NC2CC[N+](CC2)(CC3CCC=CC3)[O-])[N+](=O)[O-])N
InChI
InChI=1S/C21H30N4O5/c1-2-30-20-13-18(22)19(24(27)28)12-17(20)21(26)23-16-8-10-25(29,11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)
InChIKey
WDZQEVLQZWWIGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)-1-oxidopiperidin-1-ium-4-yl]-2-ethoxy-5-nitrobenzamide
CAS: 1361312-48-2
CID: 129850164
Formula: C21H30N4O5
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass418.22162007
Monoisotopic Mass418.22162007
Topological Polar Surface Area128 Ų
Heavy Atom Count30
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RM-C231005-01Cinitapride Impurity 5
RM-C231003-01Cinitapride Impurity 3
RM-C231001-01Cinitapride Impurity 1
RM-C231008-01Cinitapride Impurity 8
RM-C231013-01Cinitapride Impurity 13
RM-C231012-01Cinitapride Impurity 12
RM-C231011-01Cinitapride Impurity 11
RM-C231009-01Cinitapride Impurity 9
RM-C231006-01Cinitapride Impurity 6
RM-C231017-01Cinitapride Impurity 17

Alternative Products

CatalogName
AR-C07669-01Cinitapride Impurity 3
AR-C07671-01Cinitapride Impurity 1 DiHCl
AR-C07670-01Cinitapride Impurity 1 HCl
AR-C02892-01Cinitapride Related Impurity 1
TRC-C441990-10MGCinitapride
TRC-C441995-50MGCinitapride Tartrate
444569-01Cinitapride-d5
HY-128386Cinitapride (monotartrate)

Popular Products