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Details

Stereochemistry ACHIRAL
Molecular Formula C23H25N3O4S.CH4O3S
Molecular Weight 535.633
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INO-1001

SMILES

CS(O)(=O)=O.O=C1NC2=C(CC3=CC(=CC=C23)S(=O)(=O)NCCCN4CCOCC4)C5=CC=CC=C15

InChI

InChIKey=ICMWGKNAXGUKQN-UHFFFAOYSA-N
InChI=1S/C23H25N3O4S.CH4O3S/c27-23-20-5-2-1-4-19(20)21-15-16-14-17(6-7-18(16)22(21)25-23)31(28,29)24-8-3-9-26-10-12-30-13-11-26;1-5(2,3)4/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C23H25N3O4S
Molecular Weight 439.527
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:13:39 GMT 2025
Edited
by admin
on Mon Mar 31 18:13:39 GMT 2025
Record UNII
55E08EN074
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(9-(N-(3-MORPHOLINOPROPYL)-SULFONYL)-5,6-DIHYDRO-5-OXO-11-H-INDENO (1,2-C) ISOQUINOLINE METHANESULFONIC ACID
Preferred Name English
INO-1001
Common Name English
INO 1001 [WHO-DD]
Common Name English
5H-INDENO(1,2-C)ISOQUINOLINE-9-SULFONAMIDE, 6,11-DIHYDRO-N-(3-(4-MORPHOLINYL)PROPYL)-5-OXO-, METHANESULFONATE (1:1)
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 195404
Created by admin on Mon Mar 31 18:13:39 GMT 2025 , Edited by admin on Mon Mar 31 18:13:39 GMT 2025
NCI_THESAURUS C62554
Created by admin on Mon Mar 31 18:13:39 GMT 2025 , Edited by admin on Mon Mar 31 18:13:39 GMT 2025
Code System Code Type Description
DRUG BANK
DB05549
Created by admin on Mon Mar 31 18:13:39 GMT 2025 , Edited by admin on Mon Mar 31 18:13:39 GMT 2025
PRIMARY
CAS
501364-91-6
Created by admin on Mon Mar 31 18:13:39 GMT 2025 , Edited by admin on Mon Mar 31 18:13:39 GMT 2025
PRIMARY
NCI_THESAURUS
C61315
Created by admin on Mon Mar 31 18:13:39 GMT 2025 , Edited by admin on Mon Mar 31 18:13:39 GMT 2025
PRIMARY NCIT
PUBCHEM
11272610
Created by admin on Mon Mar 31 18:13:39 GMT 2025 , Edited by admin on Mon Mar 31 18:13:39 GMT 2025
PRIMARY
SMS_ID
300000052378
Created by admin on Mon Mar 31 18:13:39 GMT 2025 , Edited by admin on Mon Mar 31 18:13:39 GMT 2025
PRIMARY
CAS
624747-02-0
Created by admin on Mon Mar 31 18:13:39 GMT 2025 , Edited by admin on Mon Mar 31 18:13:39 GMT 2025
NO STRUCTURE GIVEN
FDA UNII
55E08EN074
Created by admin on Mon Mar 31 18:13:39 GMT 2025 , Edited by admin on Mon Mar 31 18:13:39 GMT 2025
PRIMARY
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ACTIVE MOIETY