Basic information
- CAS
129541-41-9- Standard SMILES
O=C([O-])C1OC(Oc2c[nH]c3ccc(Br)c(Cl)c23)C(O)C(O)C1O.[Na+]- InChIKey
IBLSVGDGSKUDCT-UHFFFAOYSA-M- Molecular formula
- C14H12BrClNNaO7
- Average molar mass
- 444.59 g/mol
- Monoisotopic mass
- 442.93834
Names & identifiers
- Preferred name
- X-GlcA
- IUPAC
- sodium 6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
- English name
- 5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt
- Molecular formula
- C14H14BrClNNaO7
- Molecular weight
- 446.61
Names & synonyms
X-GlcA5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt5-Bromo-4-chloro-3-indoxyl-beta-D-glucuronic acid, sodium salt trihydrateDTXSID20926430AKOS030212783Sodium 5-bromo-4-chloro-1H-indol-3-yl hexopyranosiduronate5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt, 98%sodium;6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylateX-GLCUX-GLU NAX-GLUC, NAX-GLCA, NA
Show more names
BC-INDICATORX-GLUCURONIDEX-GLUC X-GLUCX-Gluc (sodium)BCIG SODIUM SALT
Database identifiers
- CAS
129541-41-9- PubChem CID
- 44134591
- DTXSID
DTXSID20926430
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Melting point
- 228 · 228-230°C
- storage temp.
- -20 °C · -20°C
- solubility
- 5 mg/mL · deionized water: solubleone tablet, 5mg/mL
- form
- tablet
- color
- White to Almost white
- Water Solubility
- 10 mg/ml · Soluble in water at 10mg/ml
- Sensitive
- Light Sensitive
- InChI
- InChI=1/C14H13BrClNO7.Na.H/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22;;/h1-3,9-12,14,17-20H,(H,21,22);;/t9-,10-,11+,12-,14+;;/s3
- InChIKey
- KSEGXDRRKCCCGG-BTCNKGGSSA-M
- SMILES
- O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](C(=O)O)O1)O)C1=CNC2=CC=C(Br)C(Cl)=C12.[NaH] |&1:1,2,3,5,7,r|
- CAS DataBase Reference
- 129541 · 129541-41-9(CAS DataBase Reference)
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 83 · NA.83
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29339990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesXGLUC, Sodium Salt is a chromogenic substrate for β-glucuronidase (GUS) gene detection.
Uses5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt is a substrate for -Glucuronidase that is converted by the enzyme into an intense blue prepicitate. It is used for the detection of the Gus gene in bacterial colonies, e.g. Escherichia Coli, or for histochemical applications
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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