THIODEMECOLCINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H25NO4S
Molecular Weight	387.493
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN[C@H]1CCC2=C(C(OC)=C(OC)C(OC)=C2)C3=CC=C(SC)C(=O)C=C13

InChI

InChIKey=RRCKMQLZGKWNPR-HNNXBMFYSA-N

InChI=1S/C21H25NO4S/c1-22-15-8-6-12-10-17(24-2)20(25-3)21(26-4)19(12)13-7-9-18(27-5)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H25NO4S
Molecular Weight	387.493
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 `Tue Apr 01 20:11:23 GMT 2025` Edited by `admin` on `Tue Apr 01 20:11:23 GMT 2025`
Record UNII	PGW8CWG8Z4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THIODEMECOLCINE

Common Name

English

NSC-221662

Preferred Name

English

Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)-

Systematic Name

English

(7S)-6,7-Dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)benzo[a]heptalen-9(5H)-one

Systematic Name

English

Demecolcine, thio-

Common Name

English

Code System Code Type Description

CAS

76129-11-8

Created by admin on Tue Apr 01 20:11:23 GMT 2025 , Edited by admin on Tue Apr 01 20:11:23 GMT 2025

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PUBCHEM

312287

Created by admin on Tue Apr 01 20:11:23 GMT 2025 , Edited by admin on Tue Apr 01 20:11:23 GMT 2025

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NSC

221662

Created by admin on Tue Apr 01 20:11:23 GMT 2025 , Edited by admin on Tue Apr 01 20:11:23 GMT 2025

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FDA UNII

PGW8CWG8Z4

Created by admin on Tue Apr 01 20:11:23 GMT 2025 , Edited by admin on Tue Apr 01 20:11:23 GMT 2025

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