BURIXAFOR

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H51N8O3P
Molecular Weight	566.7194
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC(NC[C@H]2CC[C@H](CNCCCNC3CCCCC3)CC2)=NC(=C1)N4CCN(CCP(O)(O)=O)CC4

InChI

InChIKey=QLVSJMZJSABWRX-YHBQERECSA-N

InChI=1S/C27H51N8O3P/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)/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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:17:54 UTC 2023` Edited by `admin` on `Fri Dec 15 19:17:54 UTC 2023`
Record UNII	2G17Y0Q20G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BURIXAFOR

Official Name

English

PHOSPHONIC ACID, P-(2-(4-(6-AMINO-2-(((TRANS-4-(((3-(CYCLOHEXYLAMINO)PROPYL)AMINO)METHYL)CYCLOHEXYL)METHYL)AMINO)-4-PYRIMIDINYL)-1-PIPERAZINYL)ETHYL)-

Common Name

English

Burixafor [WHO-DD]

Common Name

English

(2-(4-(6-AMINO-2-((((1R,4R)-4-(((3-(CYCLOHEXYLAMINO)PROPYL)AMINO)METHYL)CYCLOHEXYL)METHYL)AMINO)PYRIMIDIN-4-YL)PIPERAZIN-1-YL)ETHYL)PHOSPHONIC ACID

Common Name

English

burixafor [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C107589