BRILACIDIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H50F6N14O6
Molecular Weight	936.9056
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=N)NCCCCC(=O)NC1=CC(=CC(NC(=O)C2=CC(=NC=N2)C(=O)NC3=C(O[C@@H]4CCNC4)C(NC(=O)CCCCNC(N)=N)=CC(=C3)C(F)(F)F)=C1O[C@@H]5CCNC5)C(F)(F)F

InChI

InChIKey=QPDYBCZNGUJZDK-DNQXCXABSA-N

InChI=1S/C40H50F6N14O6/c41-39(42,43)21-13-25(57-31(61)5-1-3-9-53-37(47)48)33(65-23-7-11-51-18-23)27(15-21)59-35(63)29-17-30(56-20-55-29)36(64)60-28-16-22(40(44,45)46)14-26(34(28)66-24-8-12-52-19-24)58-32(62)6-2-4-10-54-38(49)50/h13-17,20,23-24,51-52H,1-12,18-19H2,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H4,47,48,53)(H4,49,50,54)/t23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H50F6N14O6
Molecular Weight	936.9056
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 19:40:41 UTC 2023` Edited by `admin` on `Fri Dec 15 19:40:41 UTC 2023`
Record UNII	I1679X069H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BRILACIDIN

Official Name

English

N,N'-BIS(3-((5-(CARBAMIMIDOYLAMINO)PENTANOYL)AMINO(-2-((3R)-PYRROLIDIN-3-YLOXY)-5-(TRIFLUOROMETHYL)PHENYL)PYRIMIDINE-4,6-DICARBOXAMIDE

Common Name

English

PMX-30063 FREE BASE

Code

English

Brilacidin [WHO-DD]

Common Name

English

4,6-PYRIMIDINEDICARBOXAMIDE, N4,N6-BIS(3-((5-((AMINOIMINOMETHYL)AMINO)-1-OXOPENTYL)AMINO)-2-((3R)-3-PYRROLIDINYLOXY)-5-(TRIFLUOROMETHYL)PHENYL)-

Common Name

English

PMX30063 FREE BASE

Code

English

brilacidin [INN]

Common Name

English

BRILACIDIN [USAN]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C169816