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(±)-3,4-Dihydroxymandelic acid

(±)-3,4-Dihydroxymandelic acid structure

CAS No:
775-01-9
Formula:
C8H8O5
Chemical Name:
(±)-3,4-Dihydroxymandelic acid
Synonyms:
Benzeneacetic acid,α,3,4-trihydroxy-;Mandelic acid,3,4-dihydroxy-;α,3,4-Trihydroxybenzeneacetic acid;3,4-Dihydroxymandelic acid;(3,4-Dihydroxyphenyl)glycolic acid;3′,4′-Dihydroxymandelic acid;DOMA;2-(3,4-Dihydroxyphenyl)-2-hydroxyacetic acid;α-Hydroxy-3,4-dihydroxyphenylacetic acid;dl-3,4-Dihydroxymandelic acid;3,4-Dihydroxy-DL-mandelic acid;(±)-3,4-Dihydroxymandelic acid;DL-3,4-Dihydroxymandelic acid;DL-3,4-Dihydroxymadelic acid;3,4-Dihydroxy-dl-mandelic acid;D,L-3,4-Dihydroxymandelic acid;2-(3′,4′-Dihydroxyphenyl)-2-hydroxyethanoic acid;14883-87-5
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

3,4-Dihydroxymandelic acid is a metabolite of norepinephrine.

Solid

3,4-dihydroxymandelic acid is a catechol that is the 3,4-dihydroxy derivative of mandelic acid; a metabolite of L-dopa. It has a role as an antioxidant, a drug metabolite, a human metabolite and a mouse metabolite. It is a 2-hydroxy monocarboxylic acid and a member of catechols. It derives from a mandelic acid. It is a conjugate acid of a 3,4-dihydroxymandelate.

(±)-3,4-Dihydroxymandelic acid Basic Attributes

Molecular Weight：

184.14600

Exact Mass：

184.15

EC Number：

238-956-8

HScode：

2918290000

Characteristics

PSA：

97.99000

XLogP3：

0.21580

Appearance：

Solid

Density：

1.644 g/cm3

Melting Point：

137 °C (decomp)

Boiling Point：

487.5ºC at 760 mmHg

Flash Point：

262.7ºC

Collision Cross Section：

132 Å² [M+H-H2O]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|135 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|137.4 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|137.7 Å² [M-H]-

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi:Irritant;

Stability/Shelf Life：

Light , Temperature and Air Sensitive

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,4-dihydroxymandelic acid

(±)-3,4-Dihydroxymandelic acid Use and Manufacturing

A protein kinase C inhibitor.

Computed Properties

Molecular Weight:184.15
XLogP3:-0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:184.03717335
Monoisotopic Mass:184.03717335
Topological Polar Surface Area:98
Heavy Atom Count:13
Complexity:193
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (±)-3,4-Dihydroxymandelic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Latest News
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(±)-3,4-Dihydroxymandelic acid

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