Lacutoclax

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H55ClN8O7S
Molecular Weight	923.518
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1CN(C2=C(O1)N=C3NC=CC3=C2)C4=C(C=CC(=C4)N5CCN(CC6=C(CC(C)(C)CC6)C7=CC=C(Cl)C=C7)CC5)C(=O)NS(=O)(=O)C8=CC=C(NCC9CCOCC9)C(=C8)[N+]([O-])=O

InChI

InChIKey=CCDRQWAEZGRMTP-WJOKGBTCSA-N

InChI=1S/C48H55ClN8O7S/c1-31-29-56(44-24-34-13-17-50-45(34)52-47(44)64-31)42-25-37(55-20-18-54(19-21-55)30-35-12-16-48(2,3)27-40(35)33-4-6-36(49)7-5-33)8-10-39(42)46(58)53-65(61,62)38-9-11-41(43(26-38)57(59)60)51-28-32-14-22-63-23-15-32/h4-11,13,17,24-26,31-32,51H,12,14-16,18-23,27-30H2,1-3H3,(H,50,52)(H,53,58)/t31-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C48H55ClN8O7S
Molecular Weight	923.518
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 `Wed Apr 02 05:00:33 GMT 2025` Edited by `admin` on `Wed Apr 02 05:00:33 GMT 2025`
Record UNII	PMG5245L91
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

lacutoclax [INN]

Preferred Name

English

Lacutoclax

Official Name

English

BENZAMIDE, 4-(4-((2-(4-CHLOROPHENYL)-4,4-DIMETHYL-1-CYCLOHEXEN-1-YL)METHYL)-1-PIPERAZINYL)-2-((3R)-2,3-DIHYDRO-3-METHYLPYRROLO(3',2':5,6)PYRIDO(2,3-B)(1,4)OXAZIN-1(6H)-YL)-N-((3-NITRO-4-(((TETRAHYDRO-2H-PYRAN-4-YL)METHYL)AMINO)PHENYL)SULFONYL)-

Systematic Name

English

4-{4-[(4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl]piperazin-1-yl}-2-[(3R)-3-methyl-2,3-dihydropyrrolo[3',2':5,6]pyrido[2,3-b][1,4]oxazin-1(6H)-yl]-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)benzamide

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C203075