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5-Hydroxyindoleacetic acid

5-Hydroxyindoleacetic acid structure

CAS No:
54-16-0
Formula:
C10H9NO3
Chemical Name:
5-Hydroxyindoleacetic acid
Synonyms:
1H-Indole-3-acetic acid,5-hydroxy-;Indole-3-acetic acid,5-hydroxy-;5-Hydroxy-1H-indole-3-acetic acid;5-Hydroxyindoleacetic acid;5-Hydroxyindole-3-acetic acid;5-HIAA;5-Hydroxyindol-3-ylacetic acid;5-Oxyindoleacetic acid;5-Hydroxy-3-indolylacetate;5-Hydroxyheteroauxin;5-Hydroxy-IAA;NSC 90432;(5-Hydroxy-1H-indol-3-yl)acetic acid;2-(5-Hydroxy-1H-indol-3-yl)acetic acid;99155-61-0;113303-91-6;1321-73-9

Description

5-Hydroxyindole-3-acetic acid is the main metabolite of serotonin or metanephrines, which can be used as a biomarker of neuroendocrine tumors.

Solid

(5-hydroxyindol-3-yl)acetic acid is a member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5. It has a role as a drug metabolite, a human metabolite and a mouse metabolite. It is a conjugate acid of a (5-hydroxyindol-3-yl)acetate.

5-Hydroxyindoleacetic acid Basic Attributes

Molecular Weight：

191.18

Exact Mass：

191.18

EC Number：

200-195-4

UNII：

YHC763JY1P

NSC Number：

90432

HScode：

2933990090

Characteristics

PSA：

73.3

XLogP3：

1.1

Appearance：

Solid

Density：

1.496±0.06 g/cm3

Melting Point：

162 °C (decomp)

Boiling Point：

497.1°C at 760 mmHg

Flash Point：

254.4±24.6 °C

Refractive Index：

1.740

Water Solubility：

>28.7 [ug/mL]

Storage Conditions：

2-8ºC

Collision Cross Section：

140.9 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|140.9 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|148.4 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|137.1 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|137.3 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S22;S24/25

RTECS Number：

NL3650000

Drug Information

MeSH Entry Terms：

5 Hydroxy 3 Indoleacetic Acid

5-Hydroxyindoleacetic acid Use and Manufacturing

5-Hydroxyindole-3-acetic acid is an impurity of chlorpheniramine (C424300), an antihistaminic agent.

Computed Properties

Molecular Weight:191.18
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:191.058243149
Monoisotopic Mass:191.058243149
Topological Polar Surface Area:73.3
Heavy Atom Count:14
Complexity:231
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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5-HYDROXYINDOLE-3-ACETIC ACID

CAS No.: 54-16-0

Content: 99.00%

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Guide of 5-Hydroxyindoleacetic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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5-Hydroxyindoleacetic acid

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