1-(4-Chlorophenyl)-5-[6-[[4-[(4-chlorophenyl)amino]-6-[(1S,2R,3R,4R)-1,2,3,4,5-pentahydroxypentyl]-1,3,5-triazin-2-yl]amino]hexyl]biguanide D-Gluconic Acid
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- structure.search.product.name 1-(4-Chlorophenyl)-5-[6-[[4-[(4-chlorophenyl)amino]-6-[(1S,2R,3R,4R)-1,2,3,4,5-pentahydroxypentyl]-1,3,5-triazin-2-yl]amino]hexyl]biguanide D-Gluconic Acid
- Product Code: TRC-C378545
- CAS Number: 3046108-31-7
- Brand: TRC
Product Overview
Product Code
TRC-C378545
CAS Number
Product Format
Neat
Molecular Formula
C28H38Cl2N10O5 • C6H12O7
Molecular Weight
861.73
API Family
ChlorhexidineProduct Categories
TRC, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials
Product Type
ImpurityDocumentation
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Product Information
Chemical Data
Analyte Name
1-(4-Chlorophenyl)-5-[6-[(4-[(4-chlorophenyl)amino]-6-[(1S,2R,3R,4R)-1,2,3,4,5-pentahydroxypentyl]-1,3,5-triazin-2-yl)amino]hexyl]biguanide D-Gluconic Acid Salt
CAS Number
3046108-31-7
Molecular Formula
C28H38Cl2N10O5 • C6H12O7
Molecular Weight
861.73
Accurate Mass
860.3
SMILES
N=C(NC(NCCCCCCNC1=NC(NC2=CC=C(Cl)C=C2)=NC([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)=N1)=N)NC3=CC=C(Cl)C=C3.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
InChI
InChI=1S/C28H38Cl2N10O5.C6H12O7/c29-16-5-9-18(10-6-16)35-26(32)39-25(31)33-13-3-1-2-4-14-34-27-37-24(23(45)22(44)21(43)20(42)15-41)38-28(40-27)36-19-11-7-17(30)8-12-19;7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12,20-23,41-45H,1-4,13-15H2,(H5,31,32,33,35,39)(H2,34,36,37,38,40);2-5,7-11H,1H2,(H,12,13)/t20-,21-,22+,23-;2-,3-,4+,5-/m11/s1
IUPAC
1-[amino-(4-chloroanilino)methylidene]-2-[6-[[4-(4-chloroanilino)-6-[(1S,2R,3R,4R)-1,2,3,4,5-pentahydroxypentyl]-1,3,5-triazin-2-yl]amino]hexyl]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Impurity
Product Format
Neat
API Family
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