DENIBULIN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H19N5O3S.ClH
Molecular Weight	421.901
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.COC(=O)NC1=NC2=C(N1)C=C(SC3=CC=C(NC(=O)[C@H](C)N)C=C3)C=C2

InChI

InChIKey=JUMSCXLBFWHCRA-PPHPATTJSA-N

InChI=1S/C18H19N5O3S.ClH/c1-10(19)16(24)20-11-3-5-12(6-4-11)27-13-7-8-14-15(9-13)22-17(21-14)23-18(25)26-2;/h3-10H,19H2,1-2H3,(H,20,24)(H2,21,22,23,25);1H/t10-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula	C18H19N5O3S
Molecular Weight	385.44
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:56:27 UTC 2023` Edited by `admin` on `Fri Dec 15 15:56:27 UTC 2023`
Record UNII	0U575HR16Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DENIBULIN HYDROCHLORIDE

Official Name

English

METHYL (6-((4-(((2S)-2-AMINOPROPANOYL)AMINO)PHENYL)THIO)-1H-BENZIMIDAZOL-2-YL)CARBAMATE HYDROCHLORIDE

Systematic Name

English

DENIBULIN HYDROCHLORIDE [USAN]

Common Name

English

MN-029 HCL

Code

English

MN-029

Code

English

DENIBULIN HCL

Common Name

English

CARBAMIC ACID, (6-((4-(((2S)-2-AMINO-1-OXOPROPYL)AMINO)PHENYL)THIO)-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTER, MONOHYDROCHLORIDE

Common Name

English

Denibulin hydrochloride [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C67421