RO-5508887 HYDROCHLORIDE

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H14F3N5O2.ClH
Molecular Weight	425.792
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.C[C@@]1(N=C(N)OCC1(F)F)C2=CC(NC(=O)C3=NC=C(C=C3)C#N)=CC=C2F

InChI

InChIKey=CNXVOHMMAKBONG-UNTBIKODSA-N

InChI=1S/C18H14F3N5O2.ClH/c1-17(18(20,21)9-28-16(23)26-17)12-6-11(3-4-13(12)19)25-15(27)14-5-2-10(7-22)8-24-14;/h2-6,8H,9H2,1H3,(H2,23,26)(H,25,27);1H/t17-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C18H14F3N5O2
Molecular Weight	389.3313
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:52:08 GMT 2025` Edited by `admin` on `Mon Mar 31 22:52:08 GMT 2025`
Record UNII	8PU77BD4DA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RO-5508887 HYDROCHLORIDE

Code

English

2-PYRIDINECARBOXAMIDE, N-(3-((4R)-2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4-METHYL-4H-1,3-OXAZIN-4-YL)-4-FLUOROPHENYL)-5-CYANO-, HYDROCHLORIDE (1:1)

Preferred Name

English

Code System Code Type Description

CAS

1310349-35-9

Created by admin on Mon Mar 31 22:52:08 GMT 2025 , Edited by admin on Mon Mar 31 22:52:08 GMT 2025

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FDA UNII

8PU77BD4DA

Created by admin on Mon Mar 31 22:52:08 GMT 2025 , Edited by admin on Mon Mar 31 22:52:08 GMT 2025

PRIMARY

PUBCHEM

53241829

Created by admin on Mon Mar 31 22:52:08 GMT 2025 , Edited by admin on Mon Mar 31 22:52:08 GMT 2025

PRIMARY

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