(-) -Coclaurine hydrochloride

CAT: 0127-BUP15171-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP15171-01Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

3422-42-2

Synonyms

(-) -Coclaurine hydrochloride (486-39-5 Free base)

Purity

=95%

Smiles

C([C@H]1C=2C(=CC(OC)=C(O)C2)CCN1)C3=CC=C(O)C=C3.Cl

Chemical Information

(-)-Coclaurine Hydrochloride

CAS Number	3422-42-2
PubChem CID	131667582
IUPAC Name	(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride
Molecular Formula	C17H20ClNO3
Molecular Weight	321.8
Topological Polar Surface Area	61.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	330

SMILES

COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)O.Cl

InChI

InChI=1S/C17H19NO3.ClH/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11;/h2-5,9-10,15,18-20H,6-8H2,1H3;1H/t15-;/m0./s1

InChIKey

VDUZDGFETHGVJK-RSAXXLAASA-N

Chemical Structure

2D Structure

CAS: 3422-42-2

CID: 131667582

Formula: C17H20ClNO3

MW: 321.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	321.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	321.1131712
Monoisotopic Mass	321.1131712
Topological Polar Surface Area	61.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	330
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
BUP23969-01	(S) -Coclaurine
OR1043462-01	Hydrochloride
BUP10427-01	Landiolol hydrochloride
BUP18561	Tetracaine hydrochloride
BUP23581-01	β-Aminopropionitrile hydrochloride
BIO0140-01	Oxytetracycline hydrochloride
OR1038523	Littorine (hydrochloride)
OR1037189	Desethylamiodarone (hydrochloride)
BUP12652-01	Vabicaserin hydrochloride
BUP12603-01	VU591 hydrochloride