Coclaurine

Catalog Number	ACM486395
CAS Number	486-39-5
Structure
Synonyms	(S)-1-(4-Hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-ol
Molecular Weight	285.34
InChI	InChI=1S/C17H19NO3/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/t15-/m0/s1
InChI Key	LVVKXRQZSRUVPY-HNNXBMFYSA-N
Purity	95%+
Complexity	330
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	285.13649347
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isomeric SMILES	COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)O
Monoisotopic Mass	285.13649347
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	61.7 Ų

Custom Q&A

What is the chemical formula for Coclaurine?

The chemical formula for Coclaurine is C17H19NO3.

What is the molecular weight of Coclaurine?

The molecular weight of Coclaurine is 285.34 g/mol.

What is the melting point of Coclaurine?

The melting point of Coclaurine is 222-224 °C.

Is Coclaurine soluble in organic solvents?

Yes, Coclaurine is soluble in methanol, ethanol, DMSO, and other organic solvents.

What is the usage of Coclaurine?

Coclaurine is a tetrahydroisoquinoline alkaloid with anti-aging activity, used as a nicotinic acetylcholine receptor antagonist.

What is the pka value of Coclaurine?

The pka value of Coclaurine is 10.00±0.15.

What is the boiling point of Coclaurine?

The boiling point of Coclaurine is 496.9±45.0 °C (Predicted).

Is there any specific chemical property of Coclaurine?

Coclaurine is described as a white crystalline powder.

How is Coclaurine classified in ChEBI?

Coclaurine is classified as an enantiomer of a (S)-coclaurine in ChEBI.

Are there any known synonyms of Coclaurine?

Yes, some synonyms of Coclaurine include Sanjoinine K and (+)-Coclaurine.

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