TENIPOSIDE CATECHOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H30O13S
Molecular Weight	642.627
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
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(O)=C3)C4=CC5=C(OCO5)C=C4[C@H]2O[C@]6([H])O[C@]7([H])CO[C@H](O[C@@]7([H])[C@H](O)[C@H]6O)C8=CC=CS8

InChI

InChIKey=HFNGFXBXLSRAKX-KHIFWGIGSA-N

InChI=1S/C31H30O13S/c1-37-19-6-12(5-16(32)24(19)33)22-13-7-17-18(41-11-40-17)8-14(13)27(15-9-38-29(36)23(15)22)43-31-26(35)25(34)28-20(42-31)10-39-30(44-28)21-3-2-4-45-21/h2-8,15,20,22-23,25-28,30-35H,9-11H2,1H3/t15-,20+,22+,23-,25+,26+,27+,28+,30+,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H30O13S
Molecular Weight	642.627
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:45:43 GMT 2023` Edited by `admin` on `Sat Dec 16 13:45:43 GMT 2023`
Record UNII	42VL44PZQ8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TENIPOSIDE CATECHOL

Common Name

English

(5S,5AR,8AR,9R)-5-(((2R,4AR,6R,7R,8R,8AS)-7,8-DIHYDROXY-2-(2-THIENYL)-4,4A,6,7,8,8A-HEXAHYDROPYRANO(3,2-D)(1,3)DIOXIN-6-YL)OXY)-9-(3,4-DIHYDROXY-5-METHOXY-PHENYL)-5A,6,8A,9-TETRAHYDRO-5H-ISOBENZOFURO(6,5-F)(1,3)BENZODIOXOL-8-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

42VL44PZQ8

Created by admin on Sat Dec 16 13:45:43 GMT 2023 , Edited by admin on Sat Dec 16 13:45:43 GMT 2023

PRIMARY

CAS

142044-45-9

Created by admin on Sat Dec 16 13:45:43 GMT 2023 , Edited by admin on Sat Dec 16 13:45:43 GMT 2023

PRIMARY

SCIFINDER

PUBCHEM

101670240

Created by admin on Sat Dec 16 13:45:43 GMT 2023 , Edited by admin on Sat Dec 16 13:45:43 GMT 2023

PRIMARY

Related Record Type Details


					957E6438QA

TENIPOSIDE

PARENT -> METABOLITE

Comments:

Exposure to Heparin may cause Teniposide to precipate which may cause blockage of access in catheters. Teniposide along with Etoposide are Category D teratogens.

Qualification:

URINE