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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H27N3O3.2CH4O3S
Molecular Weight 645.744
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NETARSUDIL MESYLATE

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.CC1=CC=C(C(=O)OCC2=CC=C(C=C2)[C@@H](CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C(C)=C1

InChI

InChIKey=QQDRLKRHJOAQDC-FBHGDYMESA-N
InChI=1S/C28H27N3O3.2CH4O3S/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24;2*1-5(2,3)4/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32);2*1H3,(H,2,3,4)/t26-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C28H27N3O3
Molecular Weight 453.5323
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:58:08 UTC 2023
Edited
by admin
on Sat Dec 16 01:58:08 UTC 2023
Record UNII
VL756B1K0U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NETARSUDIL MESYLATE
USAN  
USAN  
Official Name English
ROCKLATAN COMPONENT NETARSUDIL DIMESYLATE
Common Name English
NETARSUDIL MESYLATE [USAN]
Common Name English
NETARSUDIL DIMESYLATE
Common Name English
BENZOIC ACID, 2,4-DIMETHYL-, (4-((1S)-1-(AMINOMETHYL)-2-(6-ISOQUINOLINYLAMINO)-2-OXOETHYL)PHENYL)METHYL ESTER, METHANESULFONATE (1:2)
Systematic Name English
AR-13324
Code English
Netarsudil mesilate [WHO-DD]
Common Name English
NETARSUDIL MESILATE
WHO-DD  
Common Name English
NETARSUDIL MESYLATE [ORANGE BOOK]
Common Name English
NETARSUDIL DIMESYLATE COMPONENT OF ROCKLATAN
Common Name English
NETARSUDIL DIMESYLATE [ORANGE BOOK]
Common Name English
(4-((1S)-1-(AMINOMETHYL)-2-(ISOQUINOLIN-6-YLAMINO)-2-OXOETHYL)PHENYL)METHYL 2,4-DIMETHYLBENZOATE, DIMETHANESULFONATE
Systematic Name English
RHOPRESSA
Brand Name English
NETARSUDIL DIMESYLATE [MI]
Common Name English
Code System Code Type Description
USAN
BC-103
Created by admin on Sat Dec 16 01:58:08 UTC 2023 , Edited by admin on Sat Dec 16 01:58:08 UTC 2023
PRIMARY
CAS
1422144-42-0
Created by admin on Sat Dec 16 01:58:08 UTC 2023 , Edited by admin on Sat Dec 16 01:58:08 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545127
Created by admin on Sat Dec 16 01:58:08 UTC 2023 , Edited by admin on Sat Dec 16 01:58:08 UTC 2023
PRIMARY
NCI_THESAURUS
C170214
Created by admin on Sat Dec 16 01:58:08 UTC 2023 , Edited by admin on Sat Dec 16 01:58:08 UTC 2023
PRIMARY
MERCK INDEX
m12058
Created by admin on Sat Dec 16 01:58:08 UTC 2023 , Edited by admin on Sat Dec 16 01:58:08 UTC 2023
PRIMARY
DAILYMED
VL756B1K0U
Created by admin on Sat Dec 16 01:58:08 UTC 2023 , Edited by admin on Sat Dec 16 01:58:08 UTC 2023
PRIMARY
DRUG BANK
DBSALT002599
Created by admin on Sat Dec 16 01:58:08 UTC 2023 , Edited by admin on Sat Dec 16 01:58:08 UTC 2023
PRIMARY
SMS_ID
100000174705
Created by admin on Sat Dec 16 01:58:08 UTC 2023 , Edited by admin on Sat Dec 16 01:58:08 UTC 2023
PRIMARY
FDA UNII
VL756B1K0U
Created by admin on Sat Dec 16 01:58:08 UTC 2023 , Edited by admin on Sat Dec 16 01:58:08 UTC 2023
PRIMARY
RXCUI
1992863
Created by admin on Sat Dec 16 01:58:08 UTC 2023 , Edited by admin on Sat Dec 16 01:58:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID301027773
Created by admin on Sat Dec 16 01:58:08 UTC 2023 , Edited by admin on Sat Dec 16 01:58:08 UTC 2023
PRIMARY
PUBCHEM
90410375
Created by admin on Sat Dec 16 01:58:08 UTC 2023 , Edited by admin on Sat Dec 16 01:58:08 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY