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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H13ClN3O6S.Na
Molecular Weight 373.745
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UPACICALCET SODIUM

SMILES

[Na+].CC1=C(Cl)C=C(C=C1NC(=O)NC[C@H](N)C(O)=O)S([O-])(=O)=O

InChI

InChIKey=KUQQRUUFBPFDOW-QRPNPIFTSA-M
InChI=1S/C11H14ClN3O6S.Na/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);/q;+1/p-1/t8-;/m0./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H13ClN3O6S
Molecular Weight 350.755
Charge -1
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 Sat Dec 16 18:58:28 GMT 2023
Edited
by admin
on Sat Dec 16 18:58:28 GMT 2023
Record UNII
69ZD4T6DW3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UPACICALCET SODIUM
Common Name English
L-ALANINE, 3-((((3-CHLORO-2-METHYL-5-SULFOPHENYL)AMINO)CARBONYL)AMINO)-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
141719047
Created by admin on Sat Dec 16 18:58:28 GMT 2023 , Edited by admin on Sat Dec 16 18:58:28 GMT 2023
PRIMARY
FDA UNII
69ZD4T6DW3
Created by admin on Sat Dec 16 18:58:28 GMT 2023 , Edited by admin on Sat Dec 16 18:58:28 GMT 2023
PRIMARY
CAS
2052969-18-1
Created by admin on Sat Dec 16 18:58:28 GMT 2023 , Edited by admin on Sat Dec 16 18:58:28 GMT 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY