ST-1141 ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H48N4O4.C2H4O2
Molecular Weight	696.8748
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CN([C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)N(C)[C@H](CC3=CC=CC=C3)C(=O)N4CCC(O)CC4)C(=O)\C=C\CC5(N)CCC5

InChI

InChIKey=BFZSFHYUPCIEED-XXALYEFYSA-N

InChI=1S/C39H48N4O4.C2H4O2/c1-41(36(45)15-9-22-39(40)23-10-24-39)34(28-30-16-18-32(19-17-30)31-13-7-4-8-14-31)37(46)42(2)35(27-29-11-5-3-6-12-29)38(47)43-25-20-33(44)21-26-43;1-2(3)4/h3-9,11-19,33-35,44H,10,20-28,40H2,1-2H3;1H3,(H,3,4)/b15-9+;/t34-,35-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C39H48N4O4
Molecular Weight	636.8228
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	C2H4O2
Molecular Weight	60.052
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 `Fri Dec 15 19:37:42 GMT 2023` Edited by `admin` on `Fri Dec 15 19:37:42 GMT 2023`
Record UNII	537W458UAW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ST-1141 ACETATE

Common Name

English

RC 1141 ACETATE

Common Name

English

4-PIPERIDINOL, 1-(N-((2E)-4-(1-AMINOCYCLOBUTYL)-1-OXO-2-BUTEN-1-YL)-3-(1,1'-BIPHENYL)-4-YL-N-METHYL-D-ALANYL-N-METHYL-D-PHENYLALANYL)-, ACETATE (1:1)

Common Name

English

RC-1141 ACETATE

Common Name

English

Code System Code Type Description

PUBCHEM

71300881

Created by admin on Fri Dec 15 19:37:42 GMT 2023 , Edited by admin on Fri Dec 15 19:37:42 GMT 2023

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CAS

1158176-44-3

Created by admin on Fri Dec 15 19:37:42 GMT 2023 , Edited by admin on Fri Dec 15 19:37:42 GMT 2023

PRIMARY

EPA CompTox

DTXSID80151201

Created by admin on Fri Dec 15 19:37:42 GMT 2023 , Edited by admin on Fri Dec 15 19:37:42 GMT 2023

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FDA UNII

537W458UAW

Created by admin on Fri Dec 15 19:37:42 GMT 2023 , Edited by admin on Fri Dec 15 19:37:42 GMT 2023

PRIMARY

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