IDN-5404

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H49N3O10S2
Molecular Weight	844.004
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OC)C(OC)=C2C(CC[C@H](NC(=O)CCNC(=O)N[C@H]3CCC4=CC(OC)=C(OC)C(OC)=C4C5=CC=C(SC)C(=O)C=C35)C6=CC(=O)C(SC)=CC=C26)=C1

InChI

InChIKey=KFSQWRCNSHKOCW-KYJUHHDHSA-N

InChI=1S/C44H49N3O10S2/c1-52-33-19-23-9-13-29(27-21-31(48)35(58-7)15-11-25(27)38(23)42(56-5)40(33)54-3)46-37(50)17-18-45-44(51)47-30-14-10-24-20-34(53-2)41(55-4)43(57-6)39(24)26-12-16-36(59-8)32(49)22-28(26)30/h11-12,15-16,19-22,29-30H,9-10,13-14,17-18H2,1-8H3,(H,46,50)(H2,45,47,51)/t29-,30-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

IDN-5404

Common Name

English

NAB-5404

Preferred Name

English

PROPANAMIDE, N-((7S)-5,6,7,9-TETRAHYDRO-1,2,3-TRIMETHOXY-10-(METHYLTHIO)-9-OXOBENZO(A)HEPTALEN-7-YL)-3-(((((7S)-5,6,7,9-TETRAHYDRO-1,2,3-TRIMETHOXY-10-(METHYLTHIO)-9-OXOBENZO(A)HEPTALEN-7-YL)AMINO)CARBONYL)AMINO)-

Systematic Name

English

TIOCOL 54

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C116890

Created by admin on Mon Mar 31 22:39:57 GMT 2025 , Edited by admin on Mon Mar 31 22:39:57 GMT 2025

PRIMARY

FDA UNII

5C3JG9RQU3

Created by admin on Mon Mar 31 22:39:57 GMT 2025 , Edited by admin on Mon Mar 31 22:39:57 GMT 2025

PRIMARY

PUBCHEM

9940805

Created by admin on Mon Mar 31 22:39:57 GMT 2025 , Edited by admin on Mon Mar 31 22:39:57 GMT 2025

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CAS

361169-05-3

Created by admin on Mon Mar 31 22:39:57 GMT 2025 , Edited by admin on Mon Mar 31 22:39:57 GMT 2025

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ACTIVE MOIETY


					5C3JG9RQU3

IDN-5404