N-METHYLOL-.ALPHA.-AMINOBENZYLPENICILLIN

Details

Stereochemistry	EPIMERIC
Molecular Formula	C17H21N3O5S
Molecular Weight	379.431
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-METHYLOL-.ALPHA.-AMINOBENZYLPENICILLIN

Structure Search

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(NCO)C3=CC=CC=C3)C(O)=O

InChI

InChIKey=PPDSZSLHECQOQQ-UKAJUAJCSA-N

InChI=1S/C17H21N3O5S/c1-17(2)12(16(24)25)20-14(23)11(15(20)26-17)19-13(22)10(18-8-21)9-6-4-3-5-7-9/h3-7,10-12,15,18,21H,8H2,1-2H3,(H,19,22)(H,24,25)/t10?,11-,12+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H21N3O5S
Molecular Weight	379.431
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:18:21 GMT 2023` Edited by `admin` on `Sat Dec 16 14:18:21 GMT 2023`
Record UNII	BZQ6KN4HCA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-METHYLOL-.ALPHA.-AMINOBENZYLPENICILLIN

Common Name

English

N-METHYLOL-.ALPHA.-AMINO BENZYL PENICILLIN

Common Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((2-((HYDROXYMETHYL)AMINO)-2-PHENYLACETYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S,5R,6R)-

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(2-((HYDROXYMETHYL)AMINO)-2-PHENYLACETAMIDO)-3,3-DIMETHYL-7-OXO-

Systematic Name

English

Code System Code Type Description

FDA UNII

BZQ6KN4HCA

Created by admin on Sat Dec 16 14:18:21 GMT 2023 , Edited by admin on Sat Dec 16 14:18:21 GMT 2023

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CAS

801184-37-2

Created by admin on Sat Dec 16 14:18:21 GMT 2023 , Edited by admin on Sat Dec 16 14:18:21 GMT 2023

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PUBCHEM

22817776

Created by admin on Sat Dec 16 14:18:21 GMT 2023 , Edited by admin on Sat Dec 16 14:18:21 GMT 2023

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Related Record Type Details


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SODIUM N-METHYLOL-.ALPHA.-AMINOBENZYLPENICILLIN

SALT/SOLVATE -> PARENT