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-dimethyl-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	C33H33Cl3N4O10S
Molecular Weight	784.06
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-dimethyl-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]3N[C@@H](CC4=CC(C)=C(OC)C(O)=C34)[C@H](C#N)N1[C@H]5COC(=O)[C@H](CS[C@@H]2C6=C(OC(C)=O)C(C)=C7OCOC7=C56)NC(=O)OCC(Cl)(Cl)Cl

InChI

InChIKey=VXVNQSWLYYZHIH-SQAAZCTOSA-N

InChI=1S/C33H33Cl3N4O10S/c1-12-5-15-6-16-18(7-37)40-19-8-46-31(43)17(39-32(44)47-10-33(34,35)36)9-51-30(24(40)23(38-16)20(15)25(42)26(12)45-4)22-21(19)29-28(48-11-49-29)13(2)27(22)50-14(3)41/h5,16-19,23-24,30,38,42H,6,8-11H2,1-4H3,(H,39,44)/t16-,17-,18-,19-,23+,24+,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H33Cl3N4O10S
Molecular Weight	784.06
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 19:53:01 GMT 2025` Edited by `admin` on `Wed Apr 02 19:53:01 GMT 2025`
Record UNII	RZM6TR5FYK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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-dimethyl-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

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-dimethyl-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-trichloroeth

Preferred Name

English

Code System Code Type Description

FDA UNII

RZM6TR5FYK

Created by admin on Wed Apr 02 19:53:01 GMT 2025 , Edited by admin on Wed Apr 02 19:53:01 GMT 2025

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CAS

874758-82-4

Created by admin on Wed Apr 02 19:53:01 GMT 2025 , Edited by admin on Wed Apr 02 19:53:01 GMT 2025

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PUBCHEM

89364017

Created by admin on Wed Apr 02 19:53:01 GMT 2025 , Edited by admin on Wed Apr 02 19:53:01 GMT 2025

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