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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H36O7.C8H19N
Molecular Weight 553.7709
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRAVASTATIN 1,1,3,3-TETRAMETHYLBUTYLAMINE

SMILES

CC(C)(C)CC(C)(C)N.[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC

InChI

InChIKey=RKFLVBHCVKWNON-IYNICTALSA-N
InChI=1S/C23H36O7.C8H19N/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;1-7(2,3)6-8(4,5)9/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);6,9H2,1-5H3/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C8H19N
Molecular Weight 129.2432
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 18:33:06 UTC 2023
Edited
by admin
on Sat Dec 16 18:33:06 UTC 2023
Record UNII
T17047131H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRAVASTATIN 1,1,3,3-TETRAMETHYLBUTYLAMINE
Common Name English
PRAVASTATIN 1,1,3,3-TETRAMETHYLBUTYLAMINE [USP-RS]
Common Name English
1-NAPHTHALENEHEPTANOIC ACID, 1,2,6,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.,6-TRIHYDROXY-2-METHYL-8-(2-METHYL-1-OXOBUTOXY)-, (1S-(1.ALPHA.(.BETA.S*,.DELTA.S*),2.ALPHA.,6.ALPHA.,8.BETA.(R*),8A.ALPHA.))-, COMPD. WITH 2,4,4-TRIMETHYL-2-PENTANAMINE (1:1)
Systematic Name English
Code System Code Type Description
CAS
151006-14-3
Created by admin on Sat Dec 16 18:33:06 UTC 2023 , Edited by admin on Sat Dec 16 18:33:06 UTC 2023
PRIMARY
RS_ITEM_NUM
1554192
Created by admin on Sat Dec 16 18:33:06 UTC 2023 , Edited by admin on Sat Dec 16 18:33:06 UTC 2023
PRIMARY
PUBCHEM
46782776
Created by admin on Sat Dec 16 18:33:06 UTC 2023 , Edited by admin on Sat Dec 16 18:33:06 UTC 2023
PRIMARY
FDA UNII
T17047131H
Created by admin on Sat Dec 16 18:33:06 UTC 2023 , Edited by admin on Sat Dec 16 18:33:06 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE