Imipramine N-oxide hydrate

CAT: 0926-QYB68142-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-QYB68142-01Size:25 mg

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CAS Number

1215681-42-7

Smiles

C1=CC=C (C=C1) C2=C (C=CC (=C2) C#N) N

Molecular Formula

C19H26N2O2

Molecular Weight

314.40 g/mol

Controlled

Chemical Information

Imipramine N-oxide monohydrate

CAS Number	1215681-42-7
PubChem CID	45039561
IUPAC Name	3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine oxide;hydrate
Molecular Formula	C19H26N2O2
Molecular Weight	314.4
Topological Polar Surface Area	22.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	333

SMILES

C[N+](C)(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)[O-].O

InChI

InChI=1S/C19H24N2O.H2O/c1-21(2,22)15-7-14-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20;/h3-6,8-11H,7,12-15H2,1-2H3;1H2

InChIKey

RQXNUQYIRZIYMU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1215681-42-7

CID: 45039561

Formula: C19H26N2O2

MW: 314.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	314.199428076
Monoisotopic Mass	314.199428076
Topological Polar Surface Area	22.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	333
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	2
Compound Is Canonicalized	Yes

Catalog	Name
FI176386-01	Imipramine
MI16758-01	Imipramine N-b-D-glucuronide
KAA07524-01	Imipramine pamoate
FI24561-01	Imipramine hydrochloride
80-1316	Imipramine-HRP
20-1519	Imipramine antibody
FH24021-01	2-Hydroxy imipramine
DD12118-01	N, N-Dimethyldodecylamine N-oxide
FD36367-01	N, N-Dimethyldecylamine-N-oxide
FE179779	Etoricoxib N-Oxide

Catalog	Name
TRC-I466005-50MG	Imipramine N-Oxide Hydrate
TRC-I466002-25MG	Imipramine-d6 N-Oxide Hydrate
BML-J116-0025	Imipramine N-Oxide
HY-142122R-01	Imipramine N-oxide (Standard)
CS-T-56647	Imipramine N-Oxide Monohydrate
MBS6085969-01	Imipramine N-Oxide monohydrate (IPNO)
MBS6071804-01	Imipramine-d6 N-Oxide Monohydrate
sc-250830	Quinoline N-oxide hydrate
Q00800-01	Quinoline-N-Oxide Hydrate
TRC-B689326-100MG	Brucine N-Oxide Hydrate