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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20ClNO5.ClH
Molecular Weight 438.301
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RIVICICLIB HYDROCHLORIDE

SMILES

Cl.CN1CC[C@H]([C@@H]1CO)C2=C3OC(=CC(=O)C3=C(O)C=C2O)C4=C(Cl)C=CC=C4

InChI

InChIKey=OOVTUOCTLAERQD-OJMBIDBESA-N
InChI=1S/C21H20ClNO5.ClH/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22;/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3;1H/t12-,14+;/m1./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 C21H20ClNO5
Molecular Weight 401.84
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 01:33:02 UTC 2023
Edited
by admin
on Sat Dec 16 01:33:02 UTC 2023
Record UNII
DRP53ZDY6H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RIVICICLIB HYDROCHLORIDE
Common Name English
P276-00
Common Name English
P-276-00
Common Name English
4H-1-BENZOPYRAN-4-ONE, 2-(2-CHLOROPHENYL)-5,7-DIHYDROXY-8-((2R,3S)-2-(HYDROXYMETHYL)-1-METHYL-3-PYRROLIDINYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
P-27600
Code English
P 276-00
Code English
Classification Tree Code System Code
NCI_THESAURUS C2185
Created by admin on Sat Dec 16 01:33:02 UTC 2023 , Edited by admin on Sat Dec 16 01:33:02 UTC 2023
Code System Code Type Description
PUBCHEM
23643975
Created by admin on Sat Dec 16 01:33:02 UTC 2023 , Edited by admin on Sat Dec 16 01:33:02 UTC 2023
PRIMARY
NCI_THESAURUS
C141429
Created by admin on Sat Dec 16 01:33:02 UTC 2023 , Edited by admin on Sat Dec 16 01:33:02 UTC 2023
PRIMARY
FDA UNII
DRP53ZDY6H
Created by admin on Sat Dec 16 01:33:02 UTC 2023 , Edited by admin on Sat Dec 16 01:33:02 UTC 2023
PRIMARY
SMS_ID
100000175668
Created by admin on Sat Dec 16 01:33:02 UTC 2023 , Edited by admin on Sat Dec 16 01:33:02 UTC 2023
PRIMARY
CAS
920113-03-7
Created by admin on Sat Dec 16 01:33:02 UTC 2023 , Edited by admin on Sat Dec 16 01:33:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY