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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H48N2O5
Molecular Weight 636.8195
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Defluoro atorvastatin acetonide tert-butyl ester

SMILES

CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H]3C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=UPDCRTVBGYCHGP-ROJLCIKYSA-N
InChI=1S/C40H48N2O5/c1-27(2)36-35(38(44)41-30-21-15-10-16-22-30)34(28-17-11-8-12-18-28)37(29-19-13-9-14-20-29)42(36)24-23-31-25-32(46-40(6,7)45-31)26-33(43)47-39(3,4)5/h8-22,27,31-32H,23-26H2,1-7H3,(H,41,44)/t31-,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula C40H48N2O5
Molecular Weight 636.8195
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
5HS6549DN2
Record Status Validated (UNII)
Record Version