DK-507K HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H21F2N3O4.ClH.H2O
Molecular Weight	459.871
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DK-507K HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N3C[C@@H](N)C4(CC4)C3)[C@@H]5C[C@@H]5F

InChI

InChIKey=YYHIYVINQXNSAK-GTHDFCBYSA-N

InChI=1S/C20H21F2N3O4.ClH.H2O/c1-29-18-15-9(17(26)10(19(27)28)6-25(15)13-5-11(13)21)4-12(22)16(18)24-7-14(23)20(8-24)2-3-20;;/h4,6,11,13-14H,2-3,5,7-8,23H2,1H3,(H,27,28);1H;1H2/t11-,13+,14+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C20H21F2N3O4
Molecular Weight	405.3952
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

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	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:42:40 UTC 2023` Edited by `admin` on `Sat Dec 16 15:42:40 UTC 2023`
Record UNII	1OH4IPM7S2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DK-507K HYDROCHLORIDE MONOHYDRATE

Code

English

3-QUINOLINECARBOXYLIC ACID, 7-((7S)-7-AMINO-5-AZASPIRO(2.4)HEPT-5-YL)-6-FLUORO-1-((1R,2S)-2-FLUOROCYCLOPROPYL)-1,4-DIHYDRO-8-METHOXY-4-OXO-, HYDROCHLORIDE, HYDRATE (1:1:1)

Systematic Name

English

3-QUINOLINECARBOXYLIC ACID, 7-((7S)-7-AMINO-5-AZASPIRO(2.4)HEPT-5-YL)-6-FLUORO-1-((1R,2S)-2-FLUOROCYCLOPROPYL)-1,4-DIHYDRO-8-METHOXY-4-OXO-, MONOHYDROCHLORIDE, MONOHYDRATE

Systematic Name

English

Code System Code Type Description

FDA UNII

1OH4IPM7S2

Created by admin on Sat Dec 16 15:42:40 UTC 2023 , Edited by admin on Sat Dec 16 15:42:40 UTC 2023

PRIMARY

CAS

364069-13-6

Created by admin on Sat Dec 16 15:42:40 UTC 2023 , Edited by admin on Sat Dec 16 15:42:40 UTC 2023

PRIMARY

PUBCHEM

9955877

Created by admin on Sat Dec 16 15:42:40 UTC 2023 , Edited by admin on Sat Dec 16 15:42:40 UTC 2023

PRIMARY

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