U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H25F2N3O5
Molecular Weight 509.5013
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4R,12AS)-7-(BENZYLOXY)-N-(2,4-DIFLUOROBENZYL)-4-METHYL-6,8-DIOXO-3,4,6,8,12,12A-HEXAHYDRO-2H-PYRIDO(1',2':4,5)PYRAZINO(2,1-B)(1,3)OXAZINE-9-CARBOXAMIDE

SMILES

[H][C@]12CN3C=C(C(=O)NCC4=CC=C(F)C=C4F)C(=O)C(OCC5=CC=CC=C5)=C3C(=O)N1[C@H](C)CCO2

InChI

InChIKey=RWEIORQEUUWOLH-ZHRRBRCNSA-N
InChI=1S/C27H25F2N3O5/c1-16-9-10-36-22-14-31-13-20(26(34)30-12-18-7-8-19(28)11-21(18)29)24(33)25(23(31)27(35)32(16)22)37-15-17-5-3-2-4-6-17/h2-8,11,13,16,22H,9-10,12,14-15H2,1H3,(H,30,34)/t16-,22+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(4R,12AS)-7-(BENZYLOXY)-N-(2,4-DIFLUOROBENZYL)-4-METHYL-6,8-DIOXO-3,4,6,8,12,12A-HEXAHYDRO-2H-PYRIDO(1',2':4,5)PYRAZINO(2,1-B)(1,3)OXAZINE-9-CARBOXAMIDE
Systematic Name English
DOLUTEGRAVIR O-BENZYL IMPURITY
Common Name English
(4R,12AS)-N-((2,4-DIFLUOROPHENYL)METHYL)-3,4,6,8,12,12A-HEXAHYDRO-4-METHYL-6,8-DIOXO-7-(PHENYLMETHOXY)-2H-PYRIDO(1',2':4,5)PYRAZINO(2,1-B)(1,3)OXAZINE-9-CARBOXAMIDE
Systematic Name English
2H-PYRIDO(1',2':4,5)PYRAZINO(2,1-B)(1,3)OXAZINE-9-CARBOXAMIDE, N-((2,4-DIFLUOROPHENYL)METHYL)-3,4,6,8,12,12A-HEXAHYDRO-4-METHYL-6,8-DIOXO-7-(PHENYLMETHOXY)-, (4R,12AS)-
Systematic Name English
Code System Code Type Description
CAS
1206102-11-5
Created by admin on Sat Dec 16 17:30:31 GMT 2023 , Edited by admin on Sat Dec 16 17:30:31 GMT 2023
PRIMARY
PUBCHEM
66554053
Created by admin on Sat Dec 16 17:30:31 GMT 2023 , Edited by admin on Sat Dec 16 17:30:31 GMT 2023
PRIMARY
FDA UNII
SJ4GZ8739L
Created by admin on Sat Dec 16 17:30:31 GMT 2023 , Edited by admin on Sat Dec 16 17:30:31 GMT 2023
PRIMARY