NETARSUDIL DIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H27N3O3.2ClH
Molecular Weight	526.454
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.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=LDKTYVXXYUJVJM-FBHGDYMESA-N

InChI=1S/C28H27N3O3.2ClH/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;;/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32);2*1H/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	ClH
Molecular Weight	36.461
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 10:51:03 UTC 2023` Edited by `admin` on `Sat Dec 16 10:51:03 UTC 2023`
Record UNII	SE030PF6VE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NETARSUDIL DIHYDROCHLORIDE

Common Name

English

BENZOIC ACID, 2,4-DIMETHYL-, (4-((1S)-1-(AMINOMETHYL)-2-(6-ISOQUINOLINYLAMINO)-2-OXOETHYL)PHENYL)METHYL ESTER, HYDROCHLORIDE (1:2)

Systematic Name

English

Code System Code Type Description

SMS_ID

100000178117