API y fármaco de origen
Tofacitinib Citrate
CAS 540737-29-9 · C22H28N6O8 · 46 Impurezas y compuestos relacionados
01API y fármaco de origen
Estructura 2DPubChem CID 10174505
| CAS RN | 540737-29-9 |
|---|---|
| PubChem CID | 10174505 |
| Fórmula molecular | C22H28N6O8 |
| Nombre IUPAC | (3R,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile; 2-Hydroxy-1,2,3-propanetricarboxylate |
| Estereocentros definidos | 2 |
| Estereocentros no asignados | 0 |
02Evaluación estructural de nitrosaminas
Este resultado no demuestra formación ni ausencia de riesgo. Se requiere una evaluación específica del proceso.
03Estado en India
Solo se compara el compuesto exacto con los identificadores publicados. Confirme el instrumento oficial vigente antes de tomar una decisión regulatoria.
04Impurezas y compuestos relacionados
Estructura 2DPubChem CID 169444598
(3R,4R)-1-Nitroso Tofacitinib
TXSGUQKMDXUZIR-KOLCDFICSA-N
Estructura 2DPubChem CID 44630604
Estructura 2DPubChem CID 20111936
(3S,4S)-Tofacitinib
1092578-47-6
Estructura 2DPubChem CID 81184
![Estructura 2D: 1,8-Diazabicyclo[5.4.0]undec-7-ene, CAS 6674-22-2](/structures/pubchem/81184/6674-22-2-1-8-diazabicyclo-5-4-0-undec-7-ene-2d-structure-300.png)
1,8-Diazabicyclo[5.4.0]undec-7-ene
6674-22-2
Estructura 2DPubChem CID 78358405
![Estructura 2D: 2-chloro-N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CAS 1616760-97-4](/structures/pubchem/78358405/1616760-97-4-2-chloro-n-methyl-n-3r-4r-4-methylpiperidin-3-yl-7h-pyrrolo-2-3-d-pyrimidin-4-amine-2d-structure-300.png)
Estructura 2DPubChem CID 14116871
![Estructura 2D: 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine, CAS 90213-66-4](/structures/pubchem/14116871/90213-66-4-2-4-dichloro-7h-pyrrolo-2-3-d-pyrimidine-2d-structure-300.png)
2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine
90213-66-4
Estructura 2DPubChem CID 176489810
![Estructura 2D: 3-((3R,4R)-4-Methyl-3-(methyl(5-oxo-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile, CAS 2101951-20-4](/structures/pubchem/176489810/2101951-20-4-3-3r-4r-4-methyl-3-methyl-5-oxo-6-7-dihydro-5h-pyrrolo-2-3-d-pyrimidin-4-yl-amino-piperidi-2d-structure-300.png)
Estructura 2DPubChem CID 169444129
![Estructura 2D: 3-(4-methyl-3-(methyl(7-nitroso-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile](/structures/pubchem/169444129/no-cas-3-4-methyl-3-methyl-7-nitroso-7h-pyrrolo-2-3-d-pyrimidin-4-yl-amino-piperidin-1-yl-3-oxopr-2d-structure-300.png)
3-(4-methyl-3-(methyl(7-nitroso-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
AQKUOYKGUYJXMS-UHFFFAOYSA-N
Estructura 2DPubChem CID 45789731
![Estructura 2D: 4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine, CAS 16372-08-0](/structures/pubchem/45789731/16372-08-0-4-chloro-6-7-dihydro-5h-pyrrolo-2-3-d-pyrimidine-2d-structure-300.png)
Estructura 2DPubChem CID 15726011
![Estructura 2D: 4'-Chloro-4,7'-bi-7H-pyrrolo[2,3-d]pyrimidine, CAS 134965-85-8](/structures/pubchem/15726011/134965-85-8-4-chloro-4-7-bi-7h-pyrrolo-2-3-d-pyrimidine-2d-structure-300.png)
Estructura 2DPubChem CID 15525019
![Estructura 2D: 5,7-dihydro-6H-pyrrolo [2,3-d] pyrimidin-6-one impurity, CAS 5817-96-9](/structures/pubchem/15525019/5817-96-9-5-7-dihydro-6h-pyrrolo-2-3-d-pyrimidin-6-one-impurity-2d-structure-300.png)
Estructura 2DPubChem CID 5356682
6-Chloro-7-Deazapurine
3680-69-1
Estructura 2DPubChem CID 137278549
![Estructura 2D: 7-Tosyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, CAS 2250241-69-9](/structures/pubchem/137278549/2250241-69-9-7-tosyl-3h-pyrrolo-2-3-d-pyrimidin-4-7h-one-2d-structure-300.png)
7-Tosyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
2250241-69-9
Estructura 2DPubChem CID 15984680
C27H31N5O2S
923036-30-0
Estructura 2DPubChem CID 150442645
CP-690550 N-Hydroxyl
2407039-29-4
Estructura 2DPubChem CID 67965295
Estructura 2DPubChem CID 149896746
![Estructura 2D: Ethyl 4-cyano-3-imino-5-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-5-oxopentanoate, CAS 2102039-99-4](/structures/pubchem/149896746/2102039-99-4-ethyl-4-cyano-3-imino-5-3r-4r-4-methyl-3-methyl-7h-pyrrolo-2-3-d-pyrimidin-4-yl-amino-pipe-2d-structure-300.png)
Estructura 2DPubChem CID 137346683
EXA92262Y4
2227199-31-5
Estructura 2DPubChem CID 176474651
N-((3R,4R)-1-(2-cyanoacetyl)-4-methylpiperidin-3-yl)-N-methylnitrous amide
NISOYRYSXJKHEN-BDAKNGLRSA-N
Estructura 2DPubChem CID 175686390
N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methylnitrous amide
HRTOTRFZITXVML-OCCSQVGLSA-N
Estructura 2DPubChem CID 92135749
N-Desmethyl Tofacitinib
1527525-58-1
Estructura 2DPubChem CID 67965294
![Estructura 2D: N-Methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine, CAS 1812890-23-5](/structures/pubchem/67965294/1812890-23-5-n-methyl-n-3r-4r-4-methylpiperidin-3-yl-6-7-dihydro-5h-pyrrolo-2-3-d-pyrimidin-4-amine-2d-structure-300.png)
Estructura 2DPubChem CID 175686389
N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)nitrous amide
UDRIDHRXFSNEMK-RQJHMYQMSA-N
Estructura 2DPubChem CID 169444171
![Estructura 2D: N-methyl-N-((3S,4S)-4-methyl-1-nitrosopiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine](/structures/pubchem/169444171/no-cas-n-methyl-n-3s-4s-4-methyl-1-nitrosopiperidin-3-yl-6-7-dihydro-5h-pyrrolo-2-3-d-pyrimidin-4-2d-structure-300.png)
N-methyl-N-((3S,4S)-4-methyl-1-nitrosopiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine
PLJTXDHJSKQHPP-GXSJLCMTSA-N
Estructura 2DPubChem CID 169444173
![Estructura 2D: N-methyl-N-((3S,4S)-4-methyl-1-nitrosopiperidin-3-yl)-7-nitroso-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine](/structures/pubchem/169444173/no-cas-n-methyl-n-3s-4s-4-methyl-1-nitrosopiperidin-3-yl-7-nitroso-6-7-dihydro-5h-pyrrolo-2-3-d-p-2d-structure-300.png)
Estructura 2DPubChem CID 169444172
![Estructura 2D: N-methyl-N-((3S,4S)-4-methyl-1-nitrosopiperidin-3-yl)-7-nitroso-7H-pyrrolo[2,3-d]pyrimidin-4-amine](/structures/pubchem/169444172/no-cas-n-methyl-n-3s-4s-4-methyl-1-nitrosopiperidin-3-yl-7-nitroso-7h-pyrrolo-2-3-d-pyrimidin-4-a-2d-structure-300.png)
N-methyl-N-((3S,4S)-4-methyl-1-nitrosopiperidin-3-yl)-7-nitroso-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CAKBVPHVKKJQGG-GXSJLCMTSA-N
Estructura 2DPubChem CID 176474638
![Estructura 2D: N-methyl-N-(3R,4R)-(4-methyl-1-nitrosopiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine](/structures/pubchem/176474638/no-cas-n-methyl-n-3r-4r-4-methyl-1-nitrosopiperidin-3-yl-7h-pyrrolo-2-3-d-pyrimidin-4-amine-2d-structure-300.png)
N-methyl-N-(3R,4R)-(4-methyl-1-nitrosopiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PMIKZRGUWPYFRP-KOLCDFICSA-N
Estructura 2DPubChem CID 169444426
N-methyl-N-(4-methyl-1-nitrosopiperidin-3-yl)nitrous amide
FLHWBBFXKFOMJT-UHFFFAOYSA-N
Estructura 2DPubChem CID 44719331
Estructura 2DPubChem CID 176474657
N-Nitroso 5,6-Dihydro Tofacitinib
PDKNPOLZHRCWSZ-YPMHNXCESA-N
Estructura 2DPubChem CID 176451416
N-Nitroso Tofacitinib
AQKUOYKGUYJXMS-YPMHNXCESA-N
Estructura 2DPubChem CID 176474648
N-Nitroso Tofacitinib Impurity 2
NKAOYNFDWWKGJY-JTDNENJMSA-N
Estructura 2DPubChem CID 25180101
Tofacitinib (3R,4S)-Isomer
1092578-46-5
Estructura 2DPubChem CID 9966538
Tofacitinib (3S,4R)-Isomer
1092578-48-7
Estructura 2DPubChem CID 91810737
Estructura 2DPubChem CID 78358280
Tofacitinib Amide Impurity
1675248-19-7
Estructura 2DPubChem CID 49856703
Estructura 2DPubChem CID 22280329
Tofacitinib Citrate Diastereomer Impurity (3RS, 4SR Isomer)
SYIKUFDOYJFGBQ-UHFFFAOYSA-N
Estructura 2DPubChem CID 78358350
Tofacitinib Diastereomer-1 and 2
2734856-31-4
Estructura 2DPubChem CID 78358281
Tofacitinib Impurity TOF-IV
2227197-38-6
Estructura 2DPubChem CID 78358283
Tofacitinib Impurity V
1616761-00-2
Estructura 2DPubChem CID 67965296
Tofacitinib metabolite-1
1640971-51-2
Estructura 2DPubChem CID 23401507
Tofacitinib N-Descyanoacetyl Impurity
477600-74-1
Estructura 2DPubChem CID 150381453
Tofacitinib N-Hydroxy Impurity
2459302-76-0
Estructura 2DPubChem CID 134786206
Tofacitinib N-oxide impurity
2028267-73-2
Estructura 2DPubChem CID 73357466
Tofacitinib R,S Isomers
1638499-31-6
05Fuentes
- S01