1-Amino-9-ethyl-5-fluoro-1,2,3,9,13,15-hexahydro-9-hydroxy-4-methyl-13-thioxo-10H,12H-benzo[de]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-10-one, (1S,9S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H22FN3O3S
Molecular Weight	451.513
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-Amino-9-ethyl-5-fluoro-1,2,3,9,13,15-hexahydro-9-hydroxy-4-methyl-13-thioxo-10H,12H-benzo[de]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-10-one, (1S,9S)-

Structure Search

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C5[C@@H](N)CCC6=C(C)C(F)=CC(N=C34)=C56)C2=S

InChI

InChIKey=YLWOVVAUAUOHPA-FYSMJZIKSA-N

InChI=1S/C24H22FN3O3S/c1-3-24(30)14-6-18-21-12(8-28(18)22(32)13(14)9-31-23(24)29)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,30H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H22FN3O3S
Molecular Weight	451.513
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:10:33 GMT 2025` Edited by `admin` on `Wed Apr 02 21:10:33 GMT 2025`
Record UNII	NV4MST44PQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

10H,12H-Benzo[de]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-10-one, 1-amino-9-ethyl-5-fluoro-1,2,3,9,13,15-hexahydro-9-hydroxy-4-methyl-13-thioxo-, (1S,9S)-

Preferred Name

English

1-Amino-9-ethyl-5-fluoro-1,2,3,9,13,15-hexahydro-9-hydroxy-4-methyl-13-thioxo-10H,12H-benzo[de]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-10-one, (1S,9S)-

Systematic Name

English

(1S,9S)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,13,15-hexahydro-9-hydroxy-4-methyl-13-thioxo-10H,12H-benzo[de]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-10-one

Systematic Name

English

Code System Code Type Description

PUBCHEM

166119204

Created by admin on Wed Apr 02 21:10:33 GMT 2025 , Edited by admin on Wed Apr 02 21:10:33 GMT 2025

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FDA UNII

NV4MST44PQ

Created by admin on Wed Apr 02 21:10:33 GMT 2025 , Edited by admin on Wed Apr 02 21:10:33 GMT 2025

PRIMARY

CAS

2806052-38-8

Created by admin on Wed Apr 02 21:10:33 GMT 2025 , Edited by admin on Wed Apr 02 21:10:33 GMT 2025

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