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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H32F3NO8
Molecular Weight 567.5508
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-DIHYDRO-2-HYDROXY-4-((1R)-1-((3-(3-(TRIFLUOROMETHYL)PHENYL)PROPYL)AMINO)ETHYL)-1-NAPHTHALENYL-.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1R,2R)-

SMILES

[H][C@@]4(O[C@H]1[C@H](O)C=C([C@@H](C)NCCCC2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C13)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=SUGWRQLAHMJIFZ-WQDVSFBUSA-N
InChI=1S/C28H32F3NO8/c1-14(32-11-5-7-15-6-4-8-16(12-15)28(29,30)31)19-13-20(33)24(18-10-3-2-9-17(18)19)39-27-23(36)21(34)22(35)25(40-27)26(37)38/h2-4,6,8-10,12-14,20-25,27,32-36H,5,7,11H2,1H3,(H,37,38)/t14-,20-,21+,22+,23-,24-,25+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H32F3NO8
Molecular Weight 567.5508
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:23:58 UTC 2023
Edited
by admin
on Sat Dec 16 11:23:58 UTC 2023
Record UNII
58WPD2QM9Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-DIHYDRO-2-HYDROXY-4-((1R)-1-((3-(3-(TRIFLUOROMETHYL)PHENYL)PROPYL)AMINO)ETHYL)-1-NAPHTHALENYL-.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1R,2R)-
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1R,2R)-1,2-DIHYDRO-2-HYDROXY-4-((1R)-1-((3-(3-(TRIFLUOROMETHYL)PHENYL)PROPYL)AMINO)ETHYL)-1-NAPHTHALENYL
Systematic Name English
CINACALCET (M2A-GLU)
Common Name English
Code System Code Type Description
PUBCHEM
90479102
Created by admin on Sat Dec 16 11:23:58 UTC 2023 , Edited by admin on Sat Dec 16 11:23:58 UTC 2023
PRIMARY
FDA UNII
58WPD2QM9Y
Created by admin on Sat Dec 16 11:23:58 UTC 2023 , Edited by admin on Sat Dec 16 11:23:58 UTC 2023
PRIMARY
CAS
848608-66-2
Created by admin on Sat Dec 16 11:23:58 UTC 2023 , Edited by admin on Sat Dec 16 11:23:58 UTC 2023
PRIMARY
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