Amitriptyline metabolite, (±) -E-10-hydroxylated-

CAT: 0024-sc-257086Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-257086Size:2 mg

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CAS Number

64520-05-4

Chemical Information

10-Hydroxyamitriptyline, (E)-

E-10-Hydroxyamitriptyline is an organic tricyclic compound.

CAS Number	64520-05-4
PubChem CID	6454906
IUPAC Name	(2E)-2-[3-(dimethylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
Molecular Formula	C20H23NO
Molecular Weight	293.4
XLogP	3.9
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	389

SMILES

CN(C)CC/C=C/1\C2=CC=CC=C2CC(C3=CC=CC=C31)O

InChI

InChI=1S/C20H23NO/c1-21(2)13-7-12-17-16-9-4-3-8-15(16)14-20(22)19-11-6-5-10-18(17)19/h3-6,8-12,20,22H,7,13-14H2,1-2H3/b17-12+

InChIKey

GHWBJXOKAFHZAI-SFQUDFHCSA-N

Chemical Structure

2D Structure

CAS: 64520-05-4

CID: 6454906

Formula: C20H23NO

MW: 293.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.4
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	293.177964357
Monoisotopic Mass	293.177964357
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	389
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-491341	10-Hydroxy Amitriptyline Oxalate
sc-66026	Amitriptyline (201)
sc-57613	Amitriptyline (202)
sc-210801	Amitriptyline Hydrochloride
sc-217629	Amitriptyline-d3 Hydrochloride
sc-481008	Amitriptyline N-Oxide
sc-481007	Amitriptyline-d6 Hydrochloride
sc-481544	Amitriptyline-13C3 Hydrochloride
sc-8438	IL-10 (E-10)
sc-8438 PE	IL-10 (E-10) PE

Catalog	Name
TRC-D462790-25MG	10-Hydroxy (E)-Amitriptyline
TRC-H828105-100MG	10-Hydroxy (E)-Amitriptyline Oxalate
MBS6118814-01	10-Hydroxy Amitriptyline
CS-O-16603	Cis-10-hydroxy Amitriptyline
AR-A01979-01	10-Hydroxy Amitriptyline Oxalate
RM-A133105-01	Amitriptyline EP Impurity E
XCA57614-01	Hexazinone metabolite E
AR-A01978-01	Amitriptyline EP Impurity E HCl (Mixture of Diastereomers)
MBS3803109-01	Human Prostaglandin E Metabolite ELISA Kit
JOT-EK3609Hu-01	Human Prostaglandin E Metabolite,PGEM ELISA KIT