Zelnecirnon

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H34Cl3N5O2
Molecular Weight	566.95
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](NC1=C(Cl)C(C)=NC(=N1)N2CC(C2)[C@H]3CCCN(C3)[C@H]4C[C@@](C)(C4)C(O)=O)C5=CC=C(Cl)C=C5Cl

InChI

InChIKey=ANPSFQZLPNWKHR-BPZFHHOVSA-N

InChI=1S/C27H34Cl3N5O2/c1-15(21-7-6-19(28)9-22(21)29)31-24-23(30)16(2)32-26(33-24)35-13-18(14-35)17-5-4-8-34(12-17)20-10-27(3,11-20)25(36)37/h6-7,9,15,17-18,20H,4-5,8,10-14H2,1-3H3,(H,36,37)(H,31,32,33)/t15-,17+,20-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H34Cl3N5O2
Molecular Weight	566.95
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:27:59 GMT 2025` Edited by `admin` on `Tue Apr 01 16:27:59 GMT 2025`
Record UNII	Q0M1LOC2MM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Zelnecirnon

Official Name

English

(11r,13R,23R,6R)-45,72,74-trichloro-46,6-dimethyl-5-aza-4(2,4)-pyrimidina-2(1,3)-piperidina-3(3,1)-azetidina-7(1)-benzena-1(1)-cyclobutanaheptaphane-13-carboxylic acid

Preferred Name

English

Cyclobutanecarboxylic acid, 3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6-methyl-2-pyrimidinyl]-3-azetidinyl]-1-piperidinyl]-1-methyl-, trans-

Systematic Name

English

zelnecirnon [INN]

Common Name

English

trans-3-[(3R)-3-[1-[5-Chloro-4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6-methyl-2-pyrimidinyl]-3-azetidinyl]-1-piperidinyl]-1-methylcyclobutanecarboxylic acid

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C199020