PELCITOCLAX

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C57H66ClF4N6O11PS4
Molecular Weight	1281.848
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)N1C(C)=C(C(=C1C2=CC=C(Cl)C=C2)C3=CC(=CC(F)=C3)N4CCN(CC4)C5=CC=C(NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCC(CC7)C(=O)OCCCP(O)(O)=O)CSC8=CC=CC=C8)C(=C6)S(=O)(=O)C(F)(F)F)C=C5)S(C)(=O)=O

InChI

InChIKey=QIOCQCYXBYUYLH-YACUFSJGSA-N

InChI=1S/C57H66ClF4N6O11PS4/c1-38(2)68-39(3)55(82(4,73)74)53(54(68)40-11-13-43(58)14-12-40)42-33-44(59)35-48(34-42)67-29-27-66(28-30-67)47-17-15-45(16-18-47)64-84(77,78)50-19-20-51(52(36-50)83(75,76)57(60,61)62)63-46(37-81-49-9-6-5-7-10-49)23-26-65-24-21-41(22-25-65)56(69)79-31-8-32-80(70,71)72/h5-7,9-20,33-36,38,41,46,63-64H,8,21-32,37H2,1-4H3,(H2,70,71,72)/t46-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C57H66ClF4N6O11PS4
Molecular Weight	1281.848
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:24:25 UTC 2023` Edited by `admin` on `Sat Dec 16 10:24:25 UTC 2023`
Record UNII	317UBD60ML
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PELCITOCLAX

Official Name

English

pelcitoclax [INN]

Common Name

English

Pelcitoclax [WHO-DD]

Common Name

English

APG1252

Code

English

4-PIPERIDINECARBOXYLIC ACID, 1-((3R)-3-((4-(((4-(4-(3-(2-(4-CHLOROPHENYL)-5-METHYL-1-(1-METHYLETHYL)-4-(METHYLSULFONYL)-1H-PYRROL-3-YL)-5-FLUOROPHENYL)-1-PIPERAZINYL)PHENYL)AMINO)SULFONYL)-2-((TRIFLUOROMETHYL)SULFONYL)PHENYL)AMINO)-4-(PHENYLTHIO)BUTYL)-,

Systematic Name

English

APG-1252

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

766320