Upacicalcet Sodium

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 Search

SMILES

[Na+].CC1=C(NC(=O)NC[C@H](N)C(O)=O)C=C(C=C1Cl)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	22.98976928
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 `Wed Apr 02 13:04:34 GMT 2025` Edited by `admin` on `Wed Apr 02 13:04:34 GMT 2025`
Record UNII	69ZD4T6DW3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Upacicalcet Sodium

Official Name

English

UPACICALCET SODIUM [USAN]

Preferred Name

English

(2S)-2-amino-3-{[(3-chloro-2-methyl-5-sulfophenyl)carbamoyl]amino}propanoic acid, sodium salt

Systematic 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