(S) - (-) -Tretoquinol HCl

CAT: 1596-AR-T05829-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T05829-01Size:10 Units

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CAS Number

18559-59-6

Synonyms

(S) -1- (3,4,5-trimethoxybenzyl) -1,2,3,4-tetrahydroisoquinoline-6,7-diol, hydrochloride (1:1)

Molecular Formula

C19H23NO5. HCl

Molecular Weight

345.40 36.46

API Name

Tretoquinol

Chemical Information

Trimethoquinol

CAS Number	18559-59-6
PubChem CID	656634
IUPAC Name	(1S)-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
Molecular Formula	C19H24ClNO5
Molecular Weight	381.8
Topological Polar Surface Area	80.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	409

SMILES

COC1=CC(=CC(=C1OC)OC)C[C@H]2C3=CC(=C(C=C3CCN2)O)O.Cl

InChI

InChI=1S/C19H23NO5.ClH/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14;/h7-10,14,20-22H,4-6H2,1-3H3;1H/t14-;/m0./s1

InChIKey

UHSXRTHJCJGEKG-UQKRIMTDSA-N

Chemical Structure

2D Structure

CAS: 18559-59-6

CID: 656634

Formula: C19H24ClNO5

MW: 381.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	381.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	381.1343006
Monoisotopic Mass	381.1343006
Topological Polar Surface Area	80.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	409
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
AR-T05830-01	(S) - (-) -Tretoquinol-d9 HCl
AR-T05831-01	Rac-Tretoquinol HCl
AR-T05832-01	Rac-Tretoquinol-d9 HCl
AR-T05833-01	N-Nitroso (S) -Tretoquinol
AR-B08195-01	Butopamine Enantiomer HCl ((S, S) -Ractopamine HCl)
AR-B01160-01	(S, S) -Benidipine HCl
AR-L06356-01	(S, S) -Labetalol HCl
AR-B02217-01	(S) -Bupivacaine HCl (Levobupivacaine HCl)
AR-L07534-01	Lisinopril EP Impurity C HCl ((S, S, S) -Diketopiperazine HCl)
AR-P03151-01	(S) -Propranolol HCl

Catalog	Name
TRC-T798100-25MG	S-(-)-Tretoquinol Hydrochloride
CS-T-96092	S- (-) -Tretoquinol-d9 Hydrochloride
TMIH-0510-01	S- (-) -Tretoquinol Hydrochloride-d9
TMIH-0470-01	R- (-) -Tretoquinol Hydrochloride-d9
HY-108282S	(S) - (-) -Tretoquinol-d9 (hydrochloride)
TRC-T798102-10MG	S-(-)-Tretoquinol-d9 Hydrochloride
TRC-D533970-100MG	6,7-O-Dibenzyl S-(-)-Tretoquinol Hydrochloride