U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H10NO3.3Al.2O.4HO
Molecular Weight 361.1534
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TETRAHYDROXYTRIALUMINUM DIOXIDE MONOTYROSINATE

SMILES

[OH-].[OH-].[OH-].[OH-].[O--].[O--].[Al+3].[Al+3].[Al+3].N[C@@H](CC1=CC=C(O)C=C1)C([O-])=O

InChI

InChIKey=ZIEJYAMKBFANSD-UQDQVLRLSA-I
InChI=1S/C9H11NO3.3Al.4H2O.2O/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;;;;;;;;/h1-4,8,11H,5,10H2,(H,12,13);;;;4*1H2;;/q;3*+3;;;;;2*-2/p-5/t8-;;;;;;;;;/m0........./s1

HIDE SMILES / InChI

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 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 C9H9NO3
Molecular Weight 179.1727
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:08:19 GMT 2023
Edited
by admin
on Fri Dec 15 15:08:19 GMT 2023
Record UNII
OOQ9FL1B3Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TETRAHYDROXYTRIALUMINUM DIOXIDE MONOTYROSINATE
Common Name English
TETRAHYDROXY-TRIALUMINIUM DIOXIDE 1-MONOTYROSINATE
Common Name English
ALUMINUM, TETRAHYDROXYDI-.MU.-OXO(L-TYROSINATO-O)TRI-
Systematic Name English
TRIALUMINOXANE, 1,1,5,5-TETRAHYDROXY-3-(L-TYROSYLOXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
OOQ9FL1B3Q
Created by admin on Fri Dec 15 15:08:19 GMT 2023 , Edited by admin on Fri Dec 15 15:08:19 GMT 2023
PRIMARY
PUBCHEM
133082264
Created by admin on Fri Dec 15 15:08:19 GMT 2023 , Edited by admin on Fri Dec 15 15:08:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID801228443
Created by admin on Fri Dec 15 15:08:19 GMT 2023 , Edited by admin on Fri Dec 15 15:08:19 GMT 2023
PRIMARY
CAS
21216-49-9
Created by admin on Fri Dec 15 15:08:19 GMT 2023 , Edited by admin on Fri Dec 15 15:08:19 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-277-8
Created by admin on Fri Dec 15 15:08:19 GMT 2023 , Edited by admin on Fri Dec 15 15:08:19 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE