3-ACETYL ROCURONIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H55N2O5
Molecular Weight	571.8109
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](OC(C)=O)[C@H](C[C@]34C)N5CCOCC5)[N+]6(CC=C)CCCC6

InChI

InChIKey=YTOBUTQXJPRYPH-XQIGCQGXSA-N

InChI=1S/C34H55N2O5/c1-6-15-36(16-7-8-17-36)30-21-28-26-10-9-25-20-31(40-23(2)37)29(35-13-18-39-19-14-35)22-34(25,5)27(26)11-12-33(28,4)32(30)41-24(3)38/h6,25-32H,1,7-22H2,2-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H55N2O5
Molecular Weight	571.8109
Charge	1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:48:53 UTC 2023` Edited by `admin` on `Sat Dec 16 10:48:53 UTC 2023`
Record UNII	T5YRI793K8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-ACETYL ROCURONIUM

Common Name

English

ROCURONIUM RELATED COMPOUND B [USP IMPURITY]

Common Name

English

PYRROLIDINIUM, 1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-3,17-BIS(ACETYLOXY)-2-(4-MORPHOLINYL)ANDROSTAN-16-YL)-1-(2-PROPEN-1-YL)-

Systematic Name

English

ROCURONIUM BROMIDE IMPURITY B [EP IMPURITY]

Common Name

English

1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-3,17-BIS(ACETYLOXY)-2-(4-MORPHOLINYL)ANDROSTAN-16-YL)-1-(2-PROPEN-1-YL)PYRROLIDINIUM

Systematic Name

English

Code System Code Type Description

CAS

745754-38-5

Created by admin on Sat Dec 16 10:48:53 UTC 2023 , Edited by admin on Sat Dec 16 10:48:53 UTC 2023

PRIMARY

PUBCHEM

67897955

Created by admin on Sat Dec 16 10:48:53 UTC 2023 , Edited by admin on Sat Dec 16 10:48:53 UTC 2023

PRIMARY

FDA UNII

T5YRI793K8

Created by admin on Sat Dec 16 10:48:53 UTC 2023 , Edited by admin on Sat Dec 16 10:48:53 UTC 2023

PRIMARY

Related Record Type Details


					T5YRI793K8

3-ACETYL ROCURONIUM

IONIC MOIETY

Related Record Type Details


					I65MW4OFHZ

ROCURONIUM BROMIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					I65MW4OFHZ

ROCURONIUM BROMIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: