5-BROMO-4-CHLORO-3-INDOLYL BETA-D-GLUCURONIDE SODIUM SALT TRIHYDRATE

CAS No.
370100-64-4 ;129541-41-9
CCD No.
CCD00263125
Formula
C14 H12 Br Cl N O7 . Na . 3 H2 O
MolWeight
498.64

Basic Information

Product Name: 5-BROMO-4-CHLORO-3-INDOLYL BETA-D-GLUCURONIDE SODIUM SALT TRIHYDRATE
CAS: 370100-64-4 ;129541-41-9
English Synonyms: 5-BROMO-4-CHLORO-3-INDOLYL-BETA-D-GLUCURONIC ACID SODIUM SALT TRIHYDRATE ; 5-BROMO-4-CHLORO-3-INDOLYL BETA-D-GLUCURONIDE SODIUM SALT TRIHYDRATE ; X-GLCA ; X-BETA-D-GLUCURONIDE SODIUM SALT TRIHYDRATE ; X-BETA-D-GLCUA NA 3H2O ; X-GLUCURO SODIUM SALT TRIHYDRATE ; 5-BROMO-4-CHLORO-3-INDOLYL-B-D-GLUCURONIC ACID SODIUM SALT TRIHYDRATE ; 5-BROMO-4-CHLORO-3-INDOXYL-BETA-D-GLUCURONIC ACID, SODIUM SALT TRIHYDRATE
MDL Number.: MFCD01861962
H bond acceptor: 8
H bond donor: 4
Smile: c1cc(c(c2c1[nH]cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)Cl)Br.O.O.O.[Na+]
InChi: InChI=1S/C14H13BrClNO7.Na.3H2O/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);;3*1H2/q;+1;;;/p-1/t9-,10-,11+,12-,14+;;;;/m0..../s1
InChiKey: InChIKey=KSEGXDRRKCCCGG-BTCNKGGSSA-M

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