β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1)
CAS Registry Number®
114162-64-0
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CAS Name
β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1)Molecular Formula
C14H13BrClNO7.C6H13NCite this Page
β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=114162-64-0 (retrieved ) (CAS RN: 114162-64-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C14H13BrClNO7.C6H13N/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;7-6-4-2-1-3-5-6/h1-3,9-12,14,17-20H,(H,21,22);6H,1-5,7H2/t9-,10-,11+,12-,14+;/m0./s1
InChIKey
InChIKey=JXCKZXHCJOVIAV-CYRSAHDMSA-N
SMILES
O(C=1C=2C(NC1)=CC=C(Br)C2Cl)[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O.NC1CCCCC1
Canonical SMILES
O=C(O)C1OC(OC2=CNC=3C=CC(Br)=C(Cl)C23)C(O)C(O)C1O.NC1CCCCC1
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1)
- X-Gluc
Deleted or Replaced CAS Registry Numbers
1407592-39-5
