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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21N6O5S.Na
Molecular Weight 456.451
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BLP-1654 SODIUM

SMILES

[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)NC(N)=N)C3=CC=CC=C3)C([O-])=O

InChI

InChIKey=MSWIMMZSNIYLNP-YWUHCJSESA-M
InChI=1S/C18H22N6O5S.Na/c1-18(2)11(15(27)28)24-13(26)10(14(24)30-18)21-12(25)9(8-6-4-3-5-7-8)22-17(29)23-16(19)20;/h3-7,9-11,14H,1-2H3,(H,21,25)(H,27,28)(H5,19,20,22,23,29);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C18H21N6O5S
Molecular Weight 433.462
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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 Fri Dec 15 15:11:02 GMT 2023
Edited
by admin
on Fri Dec 15 15:11:02 GMT 2023
Record UNII
OUD9J7N2J2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BLP-1654 SODIUM
Common Name English
BL-P 1654 SODIUM SALT
Common Name English
6-(D-ALPHA-(3-GUANYL-1-UREIDO)PHENYLACETAMIDO)PENICILLANIC ACID, SODIUM SALT
Common Name English
BLP 1654 SODIUM
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((((((AMINOIMINOMETHYL)AMINO)CARBONYL)AMINO)PHENYLACETYL)AMINO)-3,3-DIMETHYL-7-OXO-, MONOSODIUM SALT, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.(S*)))-
Systematic Name English
Code System Code Type Description
FDA UNII
OUD9J7N2J2
Created by admin on Fri Dec 15 15:11:02 GMT 2023 , Edited by admin on Fri Dec 15 15:11:02 GMT 2023
PRIMARY
PUBCHEM
154572815
Created by admin on Fri Dec 15 15:11:02 GMT 2023 , Edited by admin on Fri Dec 15 15:11:02 GMT 2023
PRIMARY
CAS
37762-64-4
Created by admin on Fri Dec 15 15:11:02 GMT 2023 , Edited by admin on Fri Dec 15 15:11:02 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY