DESALLYL ROCURONIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H48N2O4
Molecular Weight	488.7024
Optical Activity	( + )
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

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](O)[C@H](C[C@]34C)N5CCOCC5)N6CCCC6

InChI

InChIKey=YBZSVMDKHBRYNB-RIQJFVKASA-N

InChI=1S/C29H48N2O4/c1-19(32)35-27-24(30-10-4-5-11-30)17-23-21-7-6-20-16-26(33)25(31-12-14-34-15-13-31)18-29(20,3)22(21)8-9-28(23,27)2/h20-27,33H,4-18H2,1-3H3/t20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H48N2O4
Molecular Weight	488.7024
Charge	0
Count

Stereochemistry	ABSOLUTE
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 11:08:29 UTC 2023` Edited by `admin` on `Sat Dec 16 11:08:29 UTC 2023`
Record UNII	TA73HT9XMF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESALLYL ROCURONIUM

Common Name

English

ANDROSTANE-3,17-DIOL, 2-(4-MORPHOLINYL)-16-(1-PYRROLIDINYL)-, 17-ACETATE, (2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-

Systematic Name

English

3.ALPHA.-HYDROXY-2.BETA.-(MORPHOLIN-4-YL)-16.BETA.-(PYRROLIDIN-1-YL)-5.ALPHA.-ANDROSTAN-17.BETA.-YL ACETATE

Systematic Name

English

ROCURONIUM BROMIDE IMPURITY A [EP IMPURITY]

Common Name

English

ROCURONIUM RELATED COMPOUND A [USP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

16064933

Created by admin on Sat Dec 16 11:08:29 UTC 2023 , Edited by admin on Sat Dec 16 11:08:29 UTC 2023

PRIMARY

EPA CompTox

DTXSID601035727

Created by admin on Sat Dec 16 11:08:29 UTC 2023 , Edited by admin on Sat Dec 16 11:08:29 UTC 2023

PRIMARY

FDA UNII

TA73HT9XMF

Created by admin on Sat Dec 16 11:08:29 UTC 2023 , Edited by admin on Sat Dec 16 11:08:29 UTC 2023

PRIMARY

CAS

119302-24-8

Created by admin on Sat Dec 16 11:08:29 UTC 2023 , Edited by admin on Sat Dec 16 11:08:29 UTC 2023

PRIMARY

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: