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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H36O7
Molecular Weight 424.5277
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'.ALPHA.-ISOPRAVASTATIN

SMILES

[H][C@]12[C@H](CC=CC1=C[C@@H](O)[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC

InChI

InChIKey=HIZIJHNJVQOXLO-YMUQFYNDSA-N
InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-7-5-6-15-10-19(26)14(3)18(22(15)20)9-8-16(24)11-17(25)12-21(27)28/h5-6,10,13-14,16-20,22,24-26H,4,7-9,11-12H2,1-3H3,(H,27,28)/t13-,14+,16+,17+,18-,19+,20-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H36O7
Molecular Weight 424.5277
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 07:33:02 GMT 2023
Edited
by admin
on Sat Dec 16 07:33:02 GMT 2023
Record UNII
SHW904Q14D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'.ALPHA.-ISOPRAVASTATIN
Common Name English
1-NAPHTHALENEHEPTANOIC ACID, 1,2,3,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.,3-TRIHYDROXY-2-METHYL-8-((2S)-2-METHYL-1-OXOBUTOXY)-, (.BETA.R,.DELTA.R,1S,2R,3S,8S,8AR)-
Systematic Name English
SQ 31906
Code English
R-416
Code English
R-418
Code English
SQ-31906
Code English
Code System Code Type Description
PUBCHEM
157787
Created by admin on Sat Dec 16 07:33:02 GMT 2023 , Edited by admin on Sat Dec 16 07:33:02 GMT 2023
PRIMARY
CAS
81131-74-0
Created by admin on Sat Dec 16 07:33:02 GMT 2023 , Edited by admin on Sat Dec 16 07:33:02 GMT 2023
PRIMARY
FDA UNII
SHW904Q14D
Created by admin on Sat Dec 16 07:33:02 GMT 2023 , Edited by admin on Sat Dec 16 07:33:02 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
MAJOR
METABOLITE LESS ACTIVE -> PARENT