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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H51N8O3P.3BrH.3H2O
Molecular Weight 863.501
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BURIXAFOR HYDROBROMIDE HYDRATE

SMILES

O.O.O.Br.Br.Br.NC1=CC(=NC(NC[C@H]2CC[C@H](CNCCCNC3CCCCC3)CC2)=N1)N4CCN(CCP(O)(O)=O)CC4

InChI

InChIKey=VXFATXVZERUULG-YCGNAKKISA-N
InChI=1S/C27H51N8O3P.3BrH.3H2O/c28-25-19-26(35-15-13-34(14-16-35)17-18-39(36,37)38)33-27(32-25)31-21-23-9-7-22(8-10-23)20-29-11-4-12-30-24-5-2-1-3-6-24;;;;;;/h19,22-24,29-30H,1-18,20-21H2,(H2,36,37,38)(H3,28,31,32,33);3*1H;3*1H2/t22-,23-;;;;;;

HIDE SMILES / InChI

Molecular Formula C27H51N8O3P
Molecular Weight 566.7194
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Molecular Formula BrH
Molecular Weight 80.912
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 Fri Dec 15 21:20:41 UTC 2023
Edited
by admin
on Fri Dec 15 21:20:41 UTC 2023
Record UNII
E5X126RWIU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BURIXAFOR HYDROBROMIDE HYDRATE
Common Name English
Code System Code Type Description
FDA UNII
E5X126RWIU
Created by admin on Fri Dec 15 21:20:41 UTC 2023 , Edited by admin on Fri Dec 15 21:20:41 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY