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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H36N2O5
Molecular Weight 540.6493
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESFLUOROATORVASTATIN

SMILES

CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=SWFBJYRYCRZMSB-KAYWLYCHSA-N
InChI=1S/C33H36N2O5/c1-22(2)31-30(33(40)34-25-16-10-5-11-17-25)29(23-12-6-3-7-13-23)32(24-14-8-4-9-15-24)35(31)19-18-26(36)20-27(37)21-28(38)39/h3-17,22,26-27,36-37H,18-21H2,1-2H3,(H,34,40)(H,38,39)/t26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H36N2O5
Molecular Weight 540.6493
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:55:32 GMT 2023
Edited
by admin
on Sat Dec 16 04:55:32 GMT 2023
Record UNII
831WX29C91
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESFLUOROATORVASTATIN
Common Name English
ATORVASTATIN CALCIUM IMPURITY A [EP IMPURITY]
Common Name English
Defluoroatorvastatin
Common Name English
(3R,5R)-3,5-DIHYDROXY-7-(5-(1-METHYLETHYL)-2,3-DIPHENYL-4-(PHENYLCARBAMOYL)-1H-PYRROL-1-YL)HEPTANOIC ACID
Systematic Name English
1H-PYRROLE-1-HEPTANOIC ACID, .BETA.,.DELTA.-DIHYDROXY-2-(1-METHYLETHYL)-4,5-DIPHENYL-3-((PHENYLAMINO)CARBONYL)-, (.BETA.R,.DELTA.R)-
Common Name English
Code System Code Type Description
CAS
433289-84-0
Created by admin on Sat Dec 16 04:55:32 GMT 2023 , Edited by admin on Sat Dec 16 04:55:32 GMT 2023
PRIMARY
PUBCHEM
11191954
Created by admin on Sat Dec 16 04:55:32 GMT 2023 , Edited by admin on Sat Dec 16 04:55:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID80195827
Created by admin on Sat Dec 16 04:55:32 GMT 2023 , Edited by admin on Sat Dec 16 04:55:32 GMT 2023
PRIMARY
FDA UNII
831WX29C91
Created by admin on Sat Dec 16 04:55:32 GMT 2023 , Edited by admin on Sat Dec 16 04:55:32 GMT 2023
PRIMARY
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