Dihydrexidine

CAT: 0926-YEA03993-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-YEA03993-01Size:5 mg

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CAS Number

123039-93-0

Smiles

C1CC2=CC (=C (C=C2C3C1NCC4=CC=CC=C34) O) O

Molecular Formula

C17H17NO2

Molecular Weight

267.32 g/mol

Controlled

Chemical Information

Dihydrexidine

Dihydrexidine has been used in trials studying the treatment of SPD, Cocaine-Related Disorders, and Schizotypal Personality Disorder.

CAS Number	123039-93-0
PubChem CID	5311070
IUPAC Name	(6aS,12bR)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol
Molecular Formula	C17H17NO2
Molecular Weight	267.32
XLogP	2.5
Topological Polar Surface Area	52.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	20
Formal Charge	0
Complexity	361

SMILES

C1CC2=CC(=C(C=C2[C@H]3[C@H]1NCC4=CC=CC=C34)O)O

InChI

InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m0/s1

InChIKey

BGOQGUHWXBGXJW-YOEHRIQHSA-N

Chemical Structure

2D Structure

CAS: 123039-93-0

CID: 5311070

Formula: C17H17NO2

MW: 267.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.32
XLogP3	2.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	267.125928785
Monoisotopic Mass	267.125928785
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	361
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
GTR19204495-01	Dihydrexidine
B5028-25	Dihydrexidine hydrochloride
HY-101299B-01	Dihydrexidine (hydrochloride)
HY-101299	(+) -Dihydrexidine (hydrochloride)
A21949-1	Dihydrexidine 1mg
A21949-100	Dihydrexidine 100mg
A21949-50	Dihydrexidine 50mg
A21949-5	Dihydrexidine 5mg
MBS5767917	(+)-Dihydrexidine hydrochloride
GTR19204496-01	(+) -Dihydrexidine hydrochloride