N-DESMETHYL ATRACURIUM BESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H69N2O12.C6H5O3S
Molecular Weight	1071.278
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-DESMETHYL ATRACURIUM BESYLATE

Structure Search

SMILES

[O-]S(=O)(=O)C1=CC=CC=C1.COC2=C(OC)C=C(C[C@H]3N(CCC(=O)OCCCCCOC(=O)CC[N@+]4(C)CCC5=CC(OC)=C(OC)C=C5[C@H]4CC6=CC(OC)=C(OC)C=C6)CCC7=CC(OC)=C(OC)C=C37)C=C2

InChI

InChIKey=GDZISNMJFAJFMR-BEQCQUFHSA-M

InChI=1S/C52H69N2O12.C6H6O3S/c1-54(23-19-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-10-11-25-65-51(55)18-22-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4;7-10(8,9)6-4-2-1-3-5-6/h13-16,29-34,41-42H,10-12,17-28H2,1-9H3;1-5H,(H,7,8,9)/q+1;/p-1/t41-,42-,54+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C6H5O3S
Molecular Weight	157.167
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C52H69N2O12
Molecular Weight	914.1105
Charge	1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:17:00 GMT 2023` Edited by `admin` on `Sat Dec 16 11:17:00 GMT 2023`
Record UNII	B3F95E23UK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESMETHYL ATRACURIUM BESYLATE

Common Name

English

ISOQUINOLINIUM, 1-((3,4-DIMETHOXYPHENYL)METHYL)-2-(3-((5-(3-((1R)-1-((3,4-DIMETHOXYPHENYL)METHYL)-3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)-1-OXOPROPOXY)PENTYL)OXY)-3-OXOPROPYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, (1R,2S)-, BENZENESULFONATE

Systematic Name

English

Code System Code Type Description

FDA UNII

B3F95E23UK

Created by admin on Sat Dec 16 11:17:00 GMT 2023 , Edited by admin on Sat Dec 16 11:17:00 GMT 2023

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CAS

2024603-92-5

Created by admin on Sat Dec 16 11:17:00 GMT 2023 , Edited by admin on Sat Dec 16 11:17:00 GMT 2023

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PUBCHEM

155923003

Created by admin on Sat Dec 16 11:17:00 GMT 2023 , Edited by admin on Sat Dec 16 11:17:00 GMT 2023

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