POLYMYXIN B1 PENTAHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C56H98N16O13.5ClH
Molecular Weight	1385.781
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of POLYMYXIN B1 PENTAHYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.Cl.Cl.Cl.[H][C@](NC(=O)[C@H](CCN)NC(=O)CCCC[C@@H](C)CC)([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@]([H])(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O

InChI

InChIKey=OKIKKFVUTYOCNW-XNRVUXMISA-N

InChI=1S/C56H98N16O13.5ClH/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79;;;;;/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80);5*1H/t32-,33+,34+,36-,37-,38-,39-,40-,41-,42-,43+,45-,46-;;;;;/m0...../s1

HIDE SMILES / InChI

Molecular Formula	C56H98N16O13
Molecular Weight	1203.4767
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	3
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:41:11 GMT 2023` Edited by `admin` on `Sat Dec 16 09:41:11 GMT 2023`
Record UNII	MJG2FR5ODZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

POLYMYXIN B1 PENTAHYDROCHLORIDE

Common Name

English

POLYMYXIN B1 PENTAHYDROCHLORIDE [MI]

Common Name

English

POLYMYXIN B1, HYDROCHLORIDE (1:5)

Common Name

English

Code System Code Type Description

CAS

6883-64-3

Created by admin on Sat Dec 16 09:41:11 GMT 2023 , Edited by admin on Sat Dec 16 09:41:11 GMT 2023

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FDA UNII

MJG2FR5ODZ

Created by admin on Sat Dec 16 09:41:11 GMT 2023 , Edited by admin on Sat Dec 16 09:41:11 GMT 2023

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PUBCHEM

72710689

Created by admin on Sat Dec 16 09:41:11 GMT 2023 , Edited by admin on Sat Dec 16 09:41:11 GMT 2023

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MERCK INDEX

m8963

Created by admin on Sat Dec 16 09:41:11 GMT 2023 , Edited by admin on Sat Dec 16 09:41:11 GMT 2023

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Merck Index