S-55746

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H42N4O6
Molecular Weight	710.8168
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC=C(C=C1)N(C(=O)C2=C3CCCCN3C(=C2)C4=C(C=C5OCOC5=C4)C(=O)N6CC7=CC=CC=C7C[C@H]6CN8CCOCC8)C9=CC=CC=C9

InChI

InChIKey=VYXJULKGMXJVGI-XIFFEERXSA-N

InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/t33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H42N4O6
Molecular Weight	710.8168
Charge	0
Count

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

Approval Year

AUC

Value	Dose	Analyte	Population
437 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30940629/	1 mg/kg single, intravenous dose: 1 mg/kg route of administration: Intravenous experiment type: SINGLE co-administered:	S55746 plasma	Mus musculus population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN
2020 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30940629/	3 mg/kg single, intravenous dose: 3 mg/kg route of administration: Intravenous experiment type: SINGLE co-administered:	S55746 plasma	Mus musculus population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN
9170 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30940629/	10 mg/kg single, intravenous dose: 10 mg/kg route of administration: Intravenous experiment type: SINGLE co-administered:	S55746 plasma	Mus musculus population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN
38846 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30940629/	25 mg/kg single, intravenous dose: 25 mg/kg route of administration: Intravenous experiment type: SINGLE co-administered:	S55746 plasma	Mus musculus population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN

F_unbound

Value	Dose	Analyte	Population
1.5% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30940629/	1 mg/kg single, intravenous dose: 1 mg/kg route of administration: Intravenous experiment type: SINGLE co-administered:	S55746 plasma	Mus musculus population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN
1.5% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30940629/	3 mg/kg single, intravenous dose: 3 mg/kg route of administration: Intravenous experiment type: SINGLE co-administered:	S55746 plasma	Mus musculus population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN
1.5% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30940629/	10 mg/kg single, intravenous dose: 10 mg/kg route of administration: Intravenous experiment type: SINGLE co-administered:	S55746 plasma	Mus musculus population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN
1.5% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30940629/	25 mg/kg single, intravenous dose: 25 mg/kg route of administration: Intravenous experiment type: SINGLE co-administered:	S55746 plasma	Mus musculus population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:20:40 GMT 2025` Edited by `admin` on `Mon Mar 31 22:20:40 GMT 2025`
Record UNII	W93257I68I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

S55746

Preferred Name

English

S-55746

Code

English

BCL-201

Code

English

BCL201

Code

English

S 55746 [WHO-DD]

Common Name

English

S-055746

Code

English

(S)-N-(4-HYDROXYPHENYL)-3-(6-(3-(MORPHOLINOMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBONYL)BENZO(D)(1,3)DIOXOL-5-YL)-N-PHENYL-5,6,7,8-TETRAHYDROINDOLIZINE-1-CARBOXAMIDE

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C125603