TOP-53

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36N2O7
Molecular Weight	512.5946
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12COC(=O)[C@]1([H])[C@H](C3=CC(OC)=C(O)C(OC)=C3)C4=C(C=C5OCOC5=C4)[C@H]2CCN(C)CCN(C)C

InChI

InChIKey=KLCCMMSKRMSMKI-QVNMXXJYSA-N

InChI=1S/C28H36N2O7/c1-29(2)8-9-30(3)7-6-17-18-12-21-22(37-15-36-21)13-19(18)25(26-20(17)14-35-28(26)32)16-10-23(33-4)27(31)24(11-16)34-5/h10-13,17,20,25-26,31H,6-9,14-15H2,1-5H3/t17-,20-,25-,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H36N2O7
Molecular Weight	512.5946
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 `Sat Dec 16 11:13:28 GMT 2023` Edited by `admin` on `Sat Dec 16 11:13:28 GMT 2023`
Record UNII	6L4LBD7SCF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOP-53

Code

English

FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 9-(2-((2-(DIMETHYLAMINO)ETHYL)METHYLAMINO)ETHYL)-5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, (5R-(5.ALPHA.,5A.BETA.,8A.ALPHA.,9.BETA.))-

Common Name

English

TOP53

Code

English

TOP-53 FREE BASE

Common Name

English

(5R,5AR,8AR,9S)-9-(2-((2-(DIMETHYLAMINO)ETHYL)METHYLAMINO)ETHYL)-5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE

Systematic Name

English

FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 9-(2-((2-(DIMETHYLAMINO)ETHYL)METHYLAMINO)ETHYL)-5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, (5R,5AR,8AR,9S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

6L4LBD7SCF

Created by admin on Sat Dec 16 11:13:28 GMT 2023 , Edited by admin on Sat Dec 16 11:13:28 GMT 2023

PRIMARY

PUBCHEM

177859

Created by admin on Sat Dec 16 11:13:28 GMT 2023 , Edited by admin on Sat Dec 16 11:13:28 GMT 2023

PRIMARY

CAS

148262-19-5

Created by admin on Sat Dec 16 11:13:28 GMT 2023 , Edited by admin on Sat Dec 16 11:13:28 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

EPA CompTox

DTXSID10933355

Created by admin on Sat Dec 16 11:13:28 GMT 2023 , Edited by admin on Sat Dec 16 11:13:28 GMT 2023

PRIMARY

Related Record Type Details


					6L4LBD7SCF

TOP-53

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