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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23N3O4S
Molecular Weight 389.469
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HETACILLIN

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N3C(=O)[C@H](NC3(C)C)C4=CC=CC=C4)C(O)=O

InChI

InChIKey=DXVUYOAEDJXBPY-NFFDBFGFSA-N
InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1

HIDE SMILES / InChI
Molecular Formula C19H23N3O4S
Molecular Weight 389.469
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:03:39 UTC 2023
Edited
by admin
on Fri Dec 15 16:03:39 UTC 2023
Record UNII
TN4JSC48CV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HETACILLIN
INN   MART.   MI   ORANGE BOOK   USAN   WHO-DD  
USAN   INN  
Official Name English
BL-P 804
Code English
HETACILLIN ACID
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((4R)-2,2-DIMETHYL-5-OXO-4-PHENYL-1-IMIDAZOLIDINYL)-3,3-DIMETHYL-7-OXO-, (2S,5R,6R)-
Systematic Name English
HETACILLIN [ORANGE BOOK]
Common Name English
hetacillin [INN]
Common Name English
HETACILLIN [USAN]
Common Name English
Hetacillin [WHO-DD]
Common Name English
HETACILLIN [MI]
Common Name English
6-(2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Systematic Name English
BLP-804
Code English
HETACILLIN [MART.]
Common Name English
BRL-804
Code English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(2,2-DIMETHYL-5-OXO-4-PHENYL-1-IMIDAZOLIDINYL)-3,3-DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.(S*)))-
Systematic Name English
BL-P-804
Code English
VERSAPEN
Brand Name English
Classification Tree Code System Code
WHO-VATC QJ01CA18
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
CFR 21 CFR 526.1130
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
CFR 21 CFR 520.1130
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
NCI_THESAURUS C1500
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
WHO-ATC J01CA18
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
Code System Code Type Description
FDA UNII
TN4JSC48CV
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
WIKIPEDIA
HETACILLIN
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
CHEBI
5683
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
NCI_THESAURUS
C47555
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
CAS
3511-16-8
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
MESH
C100115
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
ChEMBL
CHEMBL1201116
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
SMS_ID
100000083951
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID4023121
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
DRUG CENTRAL
1363
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
EVMPD
SUB08020MIG
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
INN
1924
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
ECHA (EC/EINECS)
222-512-5
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
PUBCHEM
443387
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
RXCUI
26797
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY RxNorm
DRUG BANK
DB00739
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY
MERCK INDEX
m5977
Created by admin on Fri Dec 15 16:03:39 UTC 2023 , Edited by admin on Fri Dec 15 16:03:39 UTC 2023
PRIMARY Merck Index
Related Record Type Details
Structure of HETACILLIN POTASSIUM
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of AMPICILLIN
METABOLITE ACTIVE -> PRODRUG
Structure of SARPICILLIN
PARENT -> METABOLITE
Related Record Type Details
Structure of AMPICILLIN
ACTIVE MOIETY
NIH
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