Amitriptyline Impurity 14

CAT: 1299-RM-A133114-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A133114-02Size:25 mg

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CAS Number

1482484-92-3

Synonyms

3- (1a,10b-dihydro-6H-dibenzo[3,4:6,7]cyclohepta[1,2-b]oxiren-6-ylidene) -N, N-dimethylpropan-1-amine

Molecular Formula

C20H21NO

Molecular Weight

291.39

Target Alternative Name

Amitriptyline

Product Name Synonym

3- (1a,10b-dihydro-6H-dibenzo[3,4:6,7]cyclohepta[1,2-b]oxiren-6-ylidene) -N, N-dimethylpropan-1-amine

Chemical Information

5-Amino-2-(propylthio)pyrimidine-4,6-diol

CAS Number	1482484-92-3
PubChem CID	73296253
IUPAC Name	5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one
Molecular Formula	C7H11N3O2S
Molecular Weight	201.25
XLogP	0.5
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	285

SMILES

CCCSC1=NC(=C(C(=O)N1)N)O

InChI

InChI=1S/C7H11N3O2S/c1-2-3-13-7-9-5(11)4(8)6(12)10-7/h2-3,8H2,1H3,(H2,9,10,11,12)

InChIKey

SDELXXNSXQVIOO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1482484-92-3

CID: 73296253

Formula: C7H11N3O2S

MW: 201.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.25
XLogP3	0.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	201.05719778
Monoisotopic Mass	201.05719778
Topological Polar Surface Area	113 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	285
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	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-A133112-01	Amitriptyline Impurity 12
RM-A133106-01	Amitriptyline EP Impurity F
RM-A133105-01	Amitriptyline EP Impurity E
RM-A133111-01	Amitriptyline EP Impurity C-D3 Hcl
RM-N182006-01	Nortriptyline Hydrochloride EP Impurity F; Amitriptyline
RM-N182000-01	Nortriptyline Hydrochloride; Amitriptyline EP Impurity C
RM-N182009-01	Nortriptyline Hydrochloride EP Impurity I; Amitriptyline EP Impurity G
RM-N182004-01	Nortriptyline Hydrochloride EP Impurity D; Amitriptyline EP Impurity D
RM-C022600-01	Cyclobenzaprine; Amitriptyline EP Impurity B; Nortriptyline Hydrochloride EP Impurity E
RM-P180114-01	Piracetam Impurity 14

Catalog	Name
AR-A01977-01	Amitriptyline EP Impurity F (Amitriptyline Hydroxy Impurity)
KL-02-00189-01	Amitriptyline EP Impurity A
AR-A01972-01	Amitriptyline EP Impurity D
AR-A01971-01	Amitriptyline EP Impurity A (Dibenzosuberone)
AR-A06308-01	Amitriptyline EP Impurity F-d6
AR-A01980-01	Amitriptyline EP Impurity G (Dibenzosuberol)
AR-A01978-01	Amitriptyline EP Impurity E HCl (Mixture of Diastereomers)
AR-N01841	Amitriptyline EP Impurity C HCl (Nortriptyline HCl)
AR-A06311-01	Amitriptyline-D3 HCl (Nortriptyline EP Impurity F-D3 HCl)
A1382	Amitriptyline