ENRASENTAN EDAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C29H30O8.C2H8N2
Molecular Weight	1073.1857
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NCCN.CCCOC1=CC=C2[C@@H]([C@H]([C@@H](C2=C1)C3=CC=C(OC)C=C3OCCO)C(O)=O)C4=CC5=C(OCO5)C=C4.CCCOC6=CC=C7[C@@H]([C@H]([C@@H](C7=C6)C8=CC=C(OC)C=C8OCCO)C(O)=O)C9=CC%10=C(OCO%10)C=C9

InChI

InChIKey=WWCIKXJATPIKHK-HTFWYUNBSA-N

InChI=1S/2C29H30O8.C2H8N2/c2*1-3-11-34-19-6-7-20-22(14-19)27(21-8-5-18(33-2)15-24(21)35-12-10-30)28(29(31)32)26(20)17-4-9-23-25(13-17)37-16-36-23;3-1-2-4/h2*4-9,13-15,26-28,30H,3,10-12,16H2,1-2H3,(H,31,32);1-4H2/t2*26-,27+,28+;/m00./s1

HIDE SMILES / InChI

Molecular Formula	C2H8N2
Molecular Weight	60.0983
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C29H30O8
Molecular Weight	506.5437
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 15:41:53 UTC 2023` Edited by `admin` on `Fri Dec 15 15:41:53 UTC 2023`
Record UNII	W4N3HUS9UW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENRASENTAN EDAMINE

Common Name

English

1H-INDENE-2-CARBOXYLIC ACID, 1-(1,3-BENZODIOXOL-5-YL)-2,3-DIHYDRO-3-(2-(2-HYDROXYETHOXY)-4-METHOXYPHENYL)-5-PROPOXY-, (1S-(1.ALPHA.,2.BETA.,3.ALPHA.))-, COMPD. WITH 1,2-ETHANEDIAMINE (2:1)

Common Name

English

1H-INDENE-2-CARBOXYLIC ACID, 1-(1,3-BENZODIOXOL-5-YL)-2,3-DIHYDRO-3-(2-(2-HYDROXYETHOXY)-4-METHOXYPHENYL)-5-PROPOXY-, (1S,2R,3S)-, COMPD. WITH 1,2-ETHANEDIAMINE (2:1)

Common Name

English

Code System Code Type Description

PUBCHEM

15886604

Created by admin on Fri Dec 15 15:41:53 UTC 2023 , Edited by admin on Fri Dec 15 15:41:53 UTC 2023

PRIMARY

FDA UNII

W4N3HUS9UW

Created by admin on Fri Dec 15 15:41:53 UTC 2023 , Edited by admin on Fri Dec 15 15:41:53 UTC 2023

PRIMARY

CAS