Fostroxacitabine Bralpamide Hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H30BrN4O8P.ClH
Molecular Weight	625.834
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Fostroxacitabine Bralpamide Hydrochloride

Structure Search

SMILES

Cl.CCC[C@H](C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1OC[C@H](O1)N2C=CC(N)=NC2=O)OC3=CC=C(Br)C=C3

InChI

InChIKey=MXDNLTLFYQQGMY-WUKDRQFQSA-N

InChI=1S/C22H30BrN4O8P.ClH/c1-4-5-14(2)33-21(28)15(3)26-36(30,35-17-8-6-16(23)7-9-17)32-13-20-31-12-19(34-20)27-11-10-18(24)25-22(27)29;/h6-11,14-15,19-20H,4-5,12-13H2,1-3H3,(H,26,30)(H2,24,25,29);1H/t14-,15-,19-,20-,36?;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C22H30BrN4O8P
Molecular Weight	589.373
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:34:43 UTC 2023` Edited by `admin` on `Sat Dec 16 16:34:43 UTC 2023`
Record UNII	UT9O7QSO74
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Fostroxacitabine Bralpamide Hydrochloride

Official Name

English

MIV-818 HYDROCHLORIDE

Code

English

FOSTROXACITABINE BRALPAMIDE HYDROCHLORIDE [USAN]

Common Name

English

L-Alanine, N-[(S)-[[(2S,4S)-4-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-dioxolan-2-yl]methoxy](4-bromophenoxy)phosphinyl]-, (1S)-1-methylbutyl ester, hydrochloride (1:1)

Systematic Name

English

1-((2S,4S)-2-((((S)-(4-BROMOPHENOXY)(((S)-1-OXO-1-(((S)-PENTAN-2-YL)OXY)PROPAN-2-YL)AMINO)PHOSPHORYL)OXY)METHYL)-1,3-DIOXOLAN-4-YL)-2-OXO-1,2-DIHYDROPYRIMIDIN-4-AMINE HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

CAS

2416950-25-7