ATRASENTAN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H38N2O6.ClH
Molecular Weight	547.083
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(OC)C=C2)C(O)=O)C3=CC4=C(OCO4)C=C3

InChI

InChIKey=IJFUJIFSUKPWCZ-SQMFDTLJSA-N

InChI=1S/C29H38N2O6.ClH/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20;/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34);1H/t23-,27-,28+;/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	C29H38N2O6
Molecular Weight	510.6218
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:26:45 UTC 2023` Edited by `admin` on `Fri Dec 15 15:26:45 UTC 2023`
Record UNII	E4G31X93ZA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATRASENTAN HYDROCHLORIDE

Official Name

English

(2R,3R,4S)-1-((DIBUTYLCARBAMOYL)METHYL)-2-(P-METHOXYPHENYL)-4-(3,4-(METHYLENEDIOXY)PHENYL)-3-PYRROLIDINECARBOXYLIC ACID, MONOHYDROCHLORIDE

Common Name

English

ATRASENTAN HCL

Common Name

English

A-147627.1

Code

English

ATRASENTAN HYDROCHLORIDE [USAN]

Common Name

English

ABBOT-147627

Code

English

ABT-627

Code

English

ATRASENTAN HYDROCHLORIDE [MART.]

Common Name

English

ATRASENTAN HYDROCHLORIDE [MI]

Common Name

English

3-PYRROLIDINECARBOXYLIC ACID, 4-(1,3-BENZODIOXOL-5-YL)-1-(2-(DIBUTYLAMINO)-2-OXOETHYL)-2-(4-METHOXYPHENYL)-, MONOHYDROCHLORIDE, (2R-(2.ALPHA.,3.BETA.,4.ALPHA.))

Common Name

English

Atrasentan hydrochloride [WHO-DD]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C1779