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β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1)

β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1) structure

CAS No:
114162-64-0
Formula:
C14H13BrClNO7.C6H13N
Chemical Name:
β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1)
Synonyms:
β-D-Glucopyranosiduronic acid,5-bromo-4-chloro-1H-indol-3-yl,compd. with cyclohexanamine (1:1);X-Gluc;1407592-39-5
Categories:
Biochemical Engineering > Saccharides

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Description

White Solid

β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1) Basic Attributes

Molecular Weight：

521.789

Exact Mass：

520.061157

EC Number：

1533716-785-6

HScode：

29349990

Characteristics

PSA：

158.26000

XLogP3：

2.83290

Appearance：

White to off-white or colorless tablet

Density：

1.4241 (rough estimate)

Melting Point：

228-230°C

Boiling Point：

732.2ºC at 760 mmHg

Flash Point：

396.6ºC

Refractive Index：

1.6110 (estimate)

Water Solubility：

DMF: soluble

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39-24/25

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-bromo-4-chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt

β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1) Use and Manufacturing

Uses

The chromogenic substrate for β-glucuronidase (GUS) gene detection.

Manufacturing Info：

.beta.-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1): ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:521.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:520.06119
Monoisotopic Mass:520.06119
Topological Polar Surface Area:158
Heavy Atom Count:31
Complexity:532
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Recommended Suppliers of β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1)

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Guide of β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1)

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1)

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