INCB-3284 DIMESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H31F3N4O4.2CH4O3S
Molecular Weight	712.755
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.COC1=NC=C(C=C1)[C@]2(O)CC[C@@H](CC2)N3CC[C@H](C3)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChIKey=PNPNUHKICDECDH-FBLZNNLISA-N

InChI=1S/C26H31F3N4O4.2CH4O3S/c1-37-23-6-5-19(14-30-23)25(36)10-7-21(8-11-25)33-12-9-20(16-33)32-22(34)15-31-24(35)17-3-2-4-18(13-17)26(27,28)29;2*1-5(2,3)4/h2-6,13-14,20-21,36H,7-12,15-16H2,1H3,(H,31,35)(H,32,34);2*1H3,(H,2,3,4)/t20-,21-,25-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C26H31F3N4O4
Molecular Weight	520.5439
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 Dec 16 14:51:10 UTC 2023` Edited by `admin` on `Sat Dec 16 14:51:10 UTC 2023`
Record UNII	5ET5U3KG6K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

INCB-3284 DIMESYLATE

Code

English

INCB3284 BIMESYLATE

Code

English

BENZAMIDE, N-(2-(((3R)-1-(TRANS-4-HYDROXY-4-(6-METHOXY-3-PYRIDINYL)CYCLOHEXYL)-3-PYRROLIDINYL)AMINO)-2-OXOETHYL)-3-(TRIFLUOROMETHYL)-, METHANESULFONATE (1:2)

Systematic Name

English

INCB3284 DIMESYLATE

Code

English

INCB-003284 DIMESYLATE

Code

English

INCB-3284 BIMESYLATE

Code

English

N-(2-(((3R)-1-(TRANS-4-HYDROXY-4-(6-METHOXY-3-PYRIDINYL)CYCLOHEXYL)-3-PYRROLIDINYL)AMINO)-2-OXOETHYL)-3-(TRIFLUOROMETHYL)-BENZAMIDE DIMETHANESULFONATE

Systematic Name

English

INCB003284 DIMESYLATE

Code

English

Code System Code Type Description

EPA CompTox

DTXSID20470463

Created by admin on Sat Dec 16 14:51:10 UTC 2023 , Edited by admin on Sat Dec 16 14:51:10 UTC 2023

PRIMARY

CAS

887401-93-6

Created by admin on Sat Dec 16 14:51:10 UTC 2023 , Edited by admin on Sat Dec 16 14:51:10 UTC 2023

PRIMARY

PUBCHEM

11679268

Created by admin on Sat Dec 16 14:51:10 UTC 2023 , Edited by admin on Sat Dec 16 14:51:10 UTC 2023

PRIMARY

FDA UNII

5ET5U3KG6K

Created by admin on Sat Dec 16 14:51:10 UTC 2023 , Edited by admin on Sat Dec 16 14:51:10 UTC 2023

PRIMARY

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