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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H13ClN3O6S.Na.H2O
Molecular Weight 391.76
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UPACICALCET SODIUM HYDRATE

SMILES

O.[Na+].CC1=C(NC(=O)NC[C@H](N)C(O)=O)C=C(C=C1Cl)S([O-])(=O)=O

InChI

InChIKey=ASYMGJWHYHOMST-JZGIKJSDSA-M
InChI=1S/C11H14ClN3O6S.Na.H2O/c1-5-7(12)2-6(22(19,20)21)3-9(5)15-11(18)14-4-8(13)10(16)17;;/h2-3,8H,4,13H2,1H3,(H,16,17)(H2,14,15,18)(H,19,20,21);;1H2/q;+1;/p-1/t8-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
UPASITA
Preferred Name English
UPACICALCET SODIUM HYDRATE
Common Name English
MONOSODIUM 3-((((2S)-2-AMINO-2-CARBOXYETHYL)CARBAMOYL)AMINO)-5-CHLORO-4-METHYLBENZENESULFONATE HYDRATE
Systematic Name English
UPACICALCET SODIUM HYDRATE [JAN]
Common Name English
Upacicalcet sodium hydrate [WHO-DD]
Common Name English
Code System Code Type Description
FDA UNII
DH9LW5L96P
Created by admin on Wed Apr 02 12:34:04 GMT 2025 , Edited by admin on Wed Apr 02 12:34:04 GMT 2025
PRIMARY
PUBCHEM
138404169
Created by admin on Wed Apr 02 12:34:04 GMT 2025 , Edited by admin on Wed Apr 02 12:34:04 GMT 2025
PRIMARY
NCI_THESAURUS
C151955
Created by admin on Wed Apr 02 12:34:04 GMT 2025 , Edited by admin on Wed Apr 02 12:34:04 GMT 2025
PRIMARY
SMS_ID
300000036020
Created by admin on Wed Apr 02 12:34:04 GMT 2025 , Edited by admin on Wed Apr 02 12:34:04 GMT 2025
PRIMARY