U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H30N2O4.ClH
Molecular Weight 458.978
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IPTACOPAN HYDROCHLORIDE ANHYDROUS

SMILES

Cl.CCO[C@H]1CCN(CC2=C(OC)C=C(C)C3=C2C=CN3)[C@@H](C1)C4=CC=C(C=C4)C(O)=O

InChI

InChIKey=SEZXOFFLNHXEJE-CQERKEQDSA-N
InChI=1S/C25H30N2O4.ClH/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3;/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29);1H/t19-,22-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C25H30N2O4
Molecular Weight 422.5167
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:02:45 GMT 2023
Edited
by admin
on Sat Dec 16 14:02:45 GMT 2023
Record UNII
O9HY4W0ZW7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IPTACOPAN HYDROCHLORIDE ANHYDROUS
Common Name English
4-(2S,4S)-4-ETHOXY-1-((5-METHOXY-7-METHYL-1H-INDOL-4-YL)METHYL)PIPERIDIN-2-YL)BENZOIC ACID-HYDROGEN CHLORIDE(1:1)
Systematic Name English
LNP023-AAA
Code English
4-((2S,4S)-4-ETHOXY-1-((5-METHOXY-7-METHYL-1H-INDOL-4-YL)METHYL))PIPERIDIN-2-YL))BENZOIC ACID, HYDROCHLORIDE, HYDRATE (1:1)
Systematic Name English
BENZOIC ACID, 4-((2S,4S)-4-ETHOXY-1-((5-METHOXY-7-METHYL-1H-INDOL-4-YL)METHYL)-2-PIPERIDINYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Classification Tree Code System Code
EU-Orphan Drug EU/3/18/2104
Created by admin on Sat Dec 16 14:02:45 GMT 2023 , Edited by admin on Sat Dec 16 14:02:45 GMT 2023
FDA ORPHAN DRUG 751920
Created by admin on Sat Dec 16 14:02:45 GMT 2023 , Edited by admin on Sat Dec 16 14:02:45 GMT 2023
Code System Code Type Description
CAS
1646321-63-2
Created by admin on Sat Dec 16 14:02:45 GMT 2023 , Edited by admin on Sat Dec 16 14:02:45 GMT 2023
PRIMARY
PUBCHEM
117823351
Created by admin on Sat Dec 16 14:02:45 GMT 2023 , Edited by admin on Sat Dec 16 14:02:45 GMT 2023
PRIMARY
FDA UNII
O9HY4W0ZW7
Created by admin on Sat Dec 16 14:02:45 GMT 2023 , Edited by admin on Sat Dec 16 14:02:45 GMT 2023
PRIMARY
SMS_ID
100000178168
Created by admin on Sat Dec 16 14:02:45 GMT 2023 , Edited by admin on Sat Dec 16 14:02:45 GMT 2023
PRIMARY
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SOLVATE->ANHYDROUS
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ACTIVE MOIETY