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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31N5O2Si
Molecular Weight 485.6537
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-9-((1S,3R,4S)-4-(DIMETHYLPHENYLSILYL)-2-METHYLENE-3-((PHENYLMETHOXY)METHYL)CYCLOPENTYL)-1,9-DIHYDRO-6H-PURIN-6-ONE

SMILES

C=C1[C@]([H])(COCc2ccccc2)[C@]([H])(C[C@]1([H])n3cnc4c3[nH]c(=N)nc4O)[Si](C)(C)c5ccccc5

InChI

InChIKey=LMLFXMXUWHGHSR-VABKMULXSA-N
InChI=1S/C27H31N5O2Si/c1-18-21(16-34-15-19-10-6-4-7-11-19)23(35(2,3)20-12-8-5-9-13-20)14-22(18)32-17-29-24-25(32)30-27(28)31-26(24)33/h4-13,17,21-23H,1,14-16H2,2-3H3,(H3,28,30,31,33)/t21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H31N5O2Si
Molecular Weight 485.6537
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 08:51:40 UTC 2021
Edited
by admin
on Sat Jun 26 08:51:40 UTC 2021
Record UNII
LTP7YND4GS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-AMINO-9-((1S,3R,4S)-4-(DIMETHYLPHENYLSILYL)-2-METHYLENE-3-((PHENYLMETHOXY)METHYL)CYCLOPENTYL)-1,9-DIHYDRO-6H-PURIN-6-ONE
Systematic Name English
ENTECAVIR RELATED COMPOUND A [USP-RS]
Common Name English
9-((1S,3R,4S)-4-DIMETHYLPHENYLSILYL-3-(BENZYLOXYMETHYL)-2-METHYLENECYCLOPENTYL)GUANINE
Systematic Name English
3-BENZYL-4-SILYL ENTECAVIR
Common Name English
6H-PURIN-6-ONE, 2-AMINO-9-((1S,3R,4S)-4-(DIMETHYLPHENYLSILYL)-2-METHYLENE-3-((PHENYLMETHOXY)METHYL)CYCLOPENTYL)-1,9-DIHYDRO-
Systematic Name English
Code System Code Type Description
FDA UNII
LTP7YND4GS
Created by admin on Sat Jun 26 08:51:41 UTC 2021 , Edited by admin on Sat Jun 26 08:51:41 UTC 2021
PRIMARY
USP_CATALOG
1235977
Created by admin on Sat Jun 26 08:51:41 UTC 2021 , Edited by admin on Sat Jun 26 08:51:41 UTC 2021
PRIMARY USP-RS
CAS
649761-24-0
Created by admin on Sat Jun 26 08:51:41 UTC 2021 , Edited by admin on Sat Jun 26 08:51:41 UTC 2021
PRIMARY
PUBCHEM
136096441
Created by admin on Sat Jun 26 08:51:41 UTC 2021 , Edited by admin on Sat Jun 26 08:51:41 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP