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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14O35S8.16Al.40HO
Molecular Weight 2086.737
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LACTALFATE

SMILES

[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[O-]S(=O)(=O)OC[C@H]1O[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1O[C@@H]2O[C@H](COS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O

InChI

InChIKey=DNYDAJOVEODZGM-KPXOZHFESA-A
InChI=1S/C12H22O35S8.16Al.40H2O/c13-48(14,15)37-1-3-5(7(43-51(22,23)24)10(46-54(31,32)33)12(40-3)47-55(34,35)36)41-11-9(45-53(28,29)30)8(44-52(25,26)27)6(42-50(19,20)21)4(39-11)2-38-49(16,17)18;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;;;;;;;;;;40*1H2/q;16*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-48/t3-,4-,5-,6+,7+,8+,9-,10-,11+,12+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1......................................................../s1

HIDE SMILES / InChI

Molecular Formula Al
Molecular Weight 26.9815
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H14O35S8
Molecular Weight 974.739
Charge -8
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:25:43 GMT 2023
Edited
by admin
on Fri Dec 15 18:25:43 GMT 2023
Record UNII
744L89AT9T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LACTALFATE
INN  
INN  
Official Name English
.BETA.-D-GLUCOPYRANOSE, 4-O-(2,3,4,6-TETRA-O-SULFO-.BETA.-D-GALACTOPYRANOSYL)-, TETRAKIS(HYDROGEN SULFATE), ALUMINUM COMPLEX
Common Name English
LACTOSE OCTAKIS(HYDROGEN SULFATE), BASIC ALUMINUM SALT
Common Name English
ALUMINUM, HEXADECA-.MU.-HYDROXYTETRACOSAHYDROXY(.MU.8-(4-O-(2,3,4,6-TETRA-O-SULFO-.BETA.-D-GALACTOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSE TETRAKIS(SULFATO)(8-)))HEXADECA-
Common Name English
lactalfate [INN]
Common Name English
Code System Code Type Description
EVMPD
SUB08384MIG
Created by admin on Fri Dec 15 18:25:43 GMT 2023 , Edited by admin on Fri Dec 15 18:25:43 GMT 2023
PRIMARY
CAS
96427-12-2
Created by admin on Fri Dec 15 18:25:43 GMT 2023 , Edited by admin on Fri Dec 15 18:25:43 GMT 2023
PRIMARY
NCI_THESAURUS
C166987
Created by admin on Fri Dec 15 18:25:43 GMT 2023 , Edited by admin on Fri Dec 15 18:25:43 GMT 2023
PRIMARY
PUBCHEM
76958929
Created by admin on Fri Dec 15 18:25:43 GMT 2023 , Edited by admin on Fri Dec 15 18:25:43 GMT 2023
PRIMARY
FDA UNII
744L89AT9T
Created by admin on Fri Dec 15 18:25:43 GMT 2023 , Edited by admin on Fri Dec 15 18:25:43 GMT 2023
PRIMARY
SMS_ID
100000083100
Created by admin on Fri Dec 15 18:25:43 GMT 2023 , Edited by admin on Fri Dec 15 18:25:43 GMT 2023
PRIMARY
INN
5720
Created by admin on Fri Dec 15 18:25:43 GMT 2023 , Edited by admin on Fri Dec 15 18:25:43 GMT 2023
PRIMARY
ChEMBL
CHEMBL2108386
Created by admin on Fri Dec 15 18:25:43 GMT 2023 , Edited by admin on Fri Dec 15 18:25:43 GMT 2023
PRIMARY