3-HYDROXYPANCURONIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H58N2O3
Molecular Weight	530.8252
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 12
E/Z Centers	0
Charge	2

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]5(C)CCCCC5)[N+]6(C)CCCCC6

InChI

InChIKey=DNYGUSUWFYEAJL-ZZZJANDJSA-N

InChI=1S/C33H58N2O3/c1-23(36)38-31-28(34(4)16-8-6-9-17-34)21-27-25-13-12-24-20-30(37)29(35(5)18-10-7-11-19-35)22-33(24,3)26(25)14-15-32(27,31)2/h24-31,37H,6-22H2,1-5H3/q+2/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H57N2O3
Molecular Weight	529.8173
Charge	1
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	10 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:04:37 GMT 2025` Edited by `admin` on `Mon Mar 31 23:04:37 GMT 2025`
Record UNII	B503EDG52X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PIPERIDINIUM, 1,1'-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-17-(ACETYLOXY)-3-HYDROXYANDROSTANE-2,16-DIYL)BIS(1-METHYL-

Preferred Name

English

3-HYDROXYPANCURONIUM

Common Name

English

Code System Code Type Description

CAS

43021-44-9

Created by admin on Mon Mar 31 23:04:37 GMT 2025 , Edited by admin on Mon Mar 31 23:04:37 GMT 2025

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PUBCHEM

218733

Created by admin on Mon Mar 31 23:04:37 GMT 2025 , Edited by admin on Mon Mar 31 23:04:37 GMT 2025

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EPA CompTox

DTXSID20962858

Created by admin on Mon Mar 31 23:04:37 GMT 2025 , Edited by admin on Mon Mar 31 23:04:37 GMT 2025

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FDA UNII

B503EDG52X

Created by admin on Mon Mar 31 23:04:37 GMT 2025 , Edited by admin on Mon Mar 31 23:04:37 GMT 2025

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