2,2,2-Trichloroethyl N-[(6R,6aR,7R,13S,14R,16R,20R)-5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19-oxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocin-20-yl]carbamate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H35Cl3N4O10S
Molecular Weight	798.087
Optical Activity	( - )
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2,2-Trichloroethyl N-[(6R,6aR,7R,13S,14R,16R,20R)-5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19-oxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocin-20-yl]carbamate

Structure Search

SMILES

[H][C@@]12[C@@H]3SC[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)OC[C@H](N1[C@@H](C#N)[C@@H]4CC5=CC(C)=C(OC)C(O)=C5[C@H]2N4C)C6=C7OCOC7=C(C)C(OC(C)=O)=C36

InChI

InChIKey=RNZAATDMSFUVBN-GIUIFIHRSA-N

InChI=1S/C34H35Cl3N4O10S/c1-13-6-16-7-18-19(8-38)41-20-9-47-32(44)17(39-33(45)48-11-34(35,36)37)10-52-31(25(41)24(40(18)4)21(16)26(43)27(13)46-5)23-22(20)30-29(49-12-50-30)14(2)28(23)51-15(3)42/h6,17-20,24-25,31,43H,7,9-12H2,1-5H3,(H,39,45)/t17-,18-,19-,20-,24+,25+,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H35Cl3N4O10S
Molecular Weight	798.087
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:56:32 GMT 2025` Edited by `admin` on `Wed Apr 02 19:56:32 GMT 2025`
Record UNII	X4BL6B27K7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Carbamic acid, N-[(6R,6aR,7R,13S,14R,16R,20R)-5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19-oxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocin-20-yl]-, 2,2,2-trichlor

Preferred Name

English

2,2,2-Trichloroethyl N-[(6R,6aR,7R,13S,14R,16R,20R)-5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19-oxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocin-20-yl]carbamate

Systematic Name

English

Code System Code Type Description

PUBCHEM

11707634

Created by admin on Wed Apr 02 19:56:32 GMT 2025 , Edited by admin on Wed Apr 02 19:56:32 GMT 2025

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CAS

366020-69-1

Created by admin on Wed Apr 02 19:56:32 GMT 2025 , Edited by admin on Wed Apr 02 19:56:32 GMT 2025

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FDA UNII

X4BL6B27K7

Created by admin on Wed Apr 02 19:56:32 GMT 2025 , Edited by admin on Wed Apr 02 19:56:32 GMT 2025

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