BRILACIDIN TETRAHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H50F6N14O6.4ClH
Molecular Weight	1082.749
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BRILACIDIN TETRAHYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.Cl.Cl.NC(=N)NCCCCC(=O)NC1=C(O[C@@H]2CCNC2)C(NC(=O)C3=CC(=NC=N3)C(=O)NC4=CC(=CC(NC(=O)CCCCNC(N)=N)=C4O[C@@H]5CCNC5)C(F)(F)F)=CC(=C1)C(F)(F)F

InChI

InChIKey=QTHBCQCKYVOFDR-PIJQHSLXSA-N

InChI=1S/C40H50F6N14O6.4ClH/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);4*1H/t23-,24-;;;;/m1..../s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

BRILACIDIN TETRAHYDROCHLORIDE

Official Name

English

BRILACIDIN TETRAHYDROCHLORIDE [USAN]

Common Name

English

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

Common Name

English

PMX-30063

Code

English

PMX30063

Code

English

PMX 30063

Code

English

Brilacidin tetrahydrochloride [WHO-DD]

Common Name

English

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

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C258