BIMIRALISIB HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H20F3N7O2.ClH.H2O
Molecular Weight	465.858
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BIMIRALISIB HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.NC1=CC(=C(C=N1)C2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)C(F)(F)F

InChI

InChIKey=FYHJBNCYIREUGD-UHFFFAOYSA-N

InChI=1S/C17H20F3N7O2.ClH.H2O/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27;;/h9-10H,1-8H2,(H2,21,22);1H;1H2

HIDE SMILES / InChI

Molecular Formula	C17H20F3N7O2
Molecular Weight	411.3816
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:02:13 UTC 2023` Edited by `admin` on `Fri Dec 15 20:02:13 UTC 2023`
Record UNII	788BJS656Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIMIRALISIB HYDROCHLORIDE MONOHYDRATE

Common Name

English

2-PYRIDINAMINE, 5-(4,6-DI-4-MORPHOLINYL-1,3,5-TRIAZIN-2-YL)-4-(TRIFLUOROMETHYL)-, HYDROCHLORIDE, HYDRATE (1:1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

788BJS656Q

Created by admin on Fri Dec 15 20:02:13 UTC 2023 , Edited by admin on Fri Dec 15 20:02:13 UTC 2023

PRIMARY

CAS

1820902-73-5

Created by admin on Fri Dec 15 20:02:13 UTC 2023 , Edited by admin on Fri Dec 15 20:02:13 UTC 2023

PRIMARY

PUBCHEM

118471038

Created by admin on Fri Dec 15 20:02:13 UTC 2023 , Edited by admin on Fri Dec 15 20:02:13 UTC 2023

PRIMARY

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