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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14ClN3O6S
Molecular Weight 351.763
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UPACICALCET

SMILES

CC1=C(Cl)C=C(C=C1NC(=O)NC[C@H](N)C(O)=O)S(O)(=O)=O

InChI

InChIKey=LHEYGVSDVBEYQF-QMMMGPOBSA-N
InChI=1S/C11H14ClN3O6S/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)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H14ClN3O6S
Molecular Weight 351.763
Charge 0
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 14:21:13 GMT 2023
Edited
by admin
on Sat Dec 16 14:21:13 GMT 2023
Record UNII
5C1222PBE2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UPACICALCET
INN  
Official Name English
Upacicalcet [WHO-DD]
Common Name English
upacicalcet [INN]
Common Name English
(2S)-2-AMINO-3-(((3-CHLORO-2-METHYL-5-SULFOPHENYL)CARBAMOYL)AMINO)PROPANOIC ACID
Systematic Name English
L-ALANINE, 3-((((3-CHLORO-2-METHYL-5-SULFOPHENYL)AMINO)CARBONYL)AMINO)-
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C166837
Created by admin on Sat Dec 16 14:21:13 GMT 2023 , Edited by admin on Sat Dec 16 14:21:13 GMT 2023
PRIMARY
PUBCHEM
53374467
Created by admin on Sat Dec 16 14:21:13 GMT 2023 , Edited by admin on Sat Dec 16 14:21:13 GMT 2023
PRIMARY
SMS_ID
100000181195
Created by admin on Sat Dec 16 14:21:13 GMT 2023 , Edited by admin on Sat Dec 16 14:21:13 GMT 2023
PRIMARY
FDA UNII
5C1222PBE2
Created by admin on Sat Dec 16 14:21:13 GMT 2023 , Edited by admin on Sat Dec 16 14:21:13 GMT 2023
PRIMARY
CAS
1333218-50-0
Created by admin on Sat Dec 16 14:21:13 GMT 2023 , Edited by admin on Sat Dec 16 14:21:13 GMT 2023
PRIMARY
INN
10796
Created by admin on Sat Dec 16 14:21:13 GMT 2023 , Edited by admin on Sat Dec 16 14:21:13 GMT 2023
PRIMARY
WIKIPEDIA
Upacicalcet
Created by admin on Sat Dec 16 14:21:13 GMT 2023 , Edited by admin on Sat Dec 16 14:21:13 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY