U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30BrN4O8P
Molecular Weight 589.373
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Fostroxacitabine Bralpamide

SMILES

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=JBYKMODFCUCTGY-LLSQRQBFSA-N
InChI=1S/C22H30BrN4O8P/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)/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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:07:58 GMT 2023
Edited
by admin
on Sat Dec 16 16:07:58 GMT 2023
Record UNII
Q1I6YZ0NGF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Fostroxacitabine Bralpamide
USAN   INN  
Official Name English
fostroxacitabine bralpamide [INN]
Common Name English
FOSTROXACITABINE BRALPAMIDE [USAN]
Common Name English
TROXACITABINE NUCLEOTIDE PRODRUG MIV-818
Common Name English
MIV-818
Code 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
Systematic Name English
MIV818
Code English
(2S)-pentan-2-yl N-[(S)-{[(2S,4S)-4-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-dioxolan-2-yl]methoxy}(4-bromophenoxy)phosphinoyl]-L-alaninate
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 745020
Created by admin on Sat Dec 16 16:07:58 GMT 2023 , Edited by admin on Sat Dec 16 16:07:58 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C157496
Created by admin on Sat Dec 16 16:07:58 GMT 2023 , Edited by admin on Sat Dec 16 16:07:58 GMT 2023
PRIMARY NCIT
SMS_ID
300000039109
Created by admin on Sat Dec 16 16:07:58 GMT 2023 , Edited by admin on Sat Dec 16 16:07:58 GMT 2023
PRIMARY
USAN
KL-161
Created by admin on Sat Dec 16 16:07:58 GMT 2023 , Edited by admin on Sat Dec 16 16:07:58 GMT 2023
PRIMARY
FDA UNII
Q1I6YZ0NGF
Created by admin on Sat Dec 16 16:07:58 GMT 2023 , Edited by admin on Sat Dec 16 16:07:58 GMT 2023
PRIMARY
CAS
1884205-97-3
Created by admin on Sat Dec 16 16:07:58 GMT 2023 , Edited by admin on Sat Dec 16 16:07:58 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
INN
11760
Created by admin on Sat Dec 16 16:07:58 GMT 2023 , Edited by admin on Sat Dec 16 16:07:58 GMT 2023
PRIMARY
CAS
2129993-56-0
Created by admin on Sat Dec 16 16:07:58 GMT 2023 , Edited by admin on Sat Dec 16 16:07:58 GMT 2023
PRIMARY
PUBCHEM
141649565
Created by admin on Sat Dec 16 16:07:58 GMT 2023 , Edited by admin on Sat Dec 16 16:07:58 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG
METABOLITE ACTIVE -> PARENT