VELUSETRAG HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H36N4O5S.ClH
Molecular Weight	541.103
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC(C)N1C(=O)C(=CC2=CC=CC=C12)C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C[C@@H](O)CN(C)S(C)(=O)=O

InChI

InChIKey=BLIKSWRONBYRDD-ULYYJTHRSA-N

InChI=1S/C25H36N4O5S.ClH/c1-16(2)29-23-8-6-5-7-17(23)11-22(25(29)32)24(31)26-18-12-19-9-10-20(13-18)28(19)15-21(30)14-27(3)35(4,33)34;/h5-8,11,16,18-21,30H,9-10,12-15H2,1-4H3,(H,26,31);1H/t18-,19+,20-,21-;/m0./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	C25H36N4O5S
Molecular Weight	504.642
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:02:10 UTC 2023` Edited by `admin` on `Fri Dec 15 16:02:10 UTC 2023`
Record UNII	NF4JCT94PW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VELUSETRAG HYDROCHLORIDE

Official Name

English

VELUSETRAG HCL

Common Name

English

N-[(1R,3R,5S)-8-{(2R)-2-Hydroxy-3-[methyl(methylsulfonyl)amino]propyl}-8-azabicyclo[3.2.1]oct-3-yl]-1-(1-methylethyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide hydrochloride

Common Name

English

VELUSETRAG HYDROCHLORIDE [USAN]

Common Name

English

3-QUINOLINECARBOXAMIDE, 1,2-DIHYDRO-N-((3-ENDO)-8-((2R)-2-HYDROXY-3-(METHYL(METHYLSULFONYL)AMINO)PROPYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)-1-(1-METHYLETHYL)-2-OXO-, MONOHYDROCHLORIDE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66880

Created by admin on Fri Dec 15 16:02:10 UTC 2023 , Edited by admin on Fri Dec 15 16:02:10 UTC 2023

Code System Code Type Description

CAS

866933-51-9

Created by admin on Fri Dec 15 16:02:10 UTC 2023 , Edited by admin on Fri Dec 15 16:02:10 UTC 2023

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USAN

UU-25

Created by admin on Fri Dec 15 16:02:11 UTC 2023 , Edited by admin on Fri Dec 15 16:02:11 UTC 2023

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FDA UNII

NF4JCT94PW

Created by admin on Fri Dec 15 16:02:10 UTC 2023 , Edited by admin on Fri Dec 15 16:02:10 UTC 2023

PRIMARY

NCI_THESAURUS

C84239

Created by admin on Fri Dec 15 16:02:10 UTC 2023 , Edited by admin on Fri Dec 15 16:02:10 UTC 2023

PRIMARY

ChEMBL

CHEMBL2087337

Created by admin on Fri Dec 15 16:02:10 UTC 2023 , Edited by admin on Fri Dec 15 16:02:10 UTC 2023

PRIMARY

SMS_ID

300000044527

Created by admin on Fri Dec 15 16:02:11 UTC 2023 , Edited by admin on Fri Dec 15 16:02:11 UTC 2023

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