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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H36N2O11
Molecular Weight 612.6243
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NOVOBIOCIN

SMILES

CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=CC=C3C(O)=C(NC(=O)C4=CC(CC=C(C)C)=C(O)C=C4)C(=O)OC3=C2C)OC1(C)C

InChI

InChIKey=YJQPYGGHQPGBLI-KGSXXDOSSA-N
InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1

HIDE SMILES / InChI
Molecular Formula C31H36N2O11
Molecular Weight 612.6243
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 14:58:20 UTC 2023
Edited
by admin
on Fri Dec 15 14:58:20 UTC 2023
Record UNII
17EC19951N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NOVOBIOCIN
GREEN BOOK   HSDB   INN   MART.   MI   USP-RS   VANDF   WHO-DD  
INN  
Official Name English
BENZAMIDE, N-(7-((3-O-(AMINOCARBONYL)-6-DEOXY-5-C-METHYL-4-O-METHYL-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-4-HYDROXY-8-METHYL-2-OXO-2H-1-BENZOPYRAN-3-YL)-4-HYDROXY-3-(3-METHYL-2-BUTEN-1-YL)-
Common Name English
NOVOBIOCIN [GREEN BOOK]
Common Name English
NOVOBIOCIN [HSDB]
Common Name English
BENZAMIDE, N-(7-((3-O-(AMINOCARBONYL)-6-DEOXY-5-C-METHYL-4-O-METHYL-.BETA.-L-LYXO-HEXOPYRANOSYL)OXY)-4-HYDROXY-8-METHYL-2-OXO-2H-1-BENZOPYRAN-3-YL)-4-HYDROXY-3-(3-METHYL-2-BUTENYL)-
Common Name English
Novobiocin [WHO-DD]
Common Name English
NOVOBIOCIN [MI]
Common Name English
NOVOBIOCIN [USP-RS]
Common Name English
novobiocin [INN]
Common Name English
NOVOBIOCIN [VANDF]
Common Name English
NOVOBIOCIN [MART.]
Common Name English
Classification Tree Code System Code
WHO-VATC QJ01XX95
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
CFR 21 CFR 526.1696D
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
CFR 21 CFR 526.1590
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
NCI_THESAURUS C258
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
CFR 21 CFR 558.415
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
CFR 21 CFR 556.460
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
Code System Code Type Description
PUBCHEM
54675769
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
CHEBI
28368
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
MERCK INDEX
m8081
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY Merck Index
RXCUI
7538
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY RxNorm
EVMPD
SUB09385MIG
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
ECHA (EC/EINECS)
206-146-3
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
DRUG BANK
DB01051
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
CHEBI
71339
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
HSDB
7443
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
MESH
D009675
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
FDA UNII
17EC19951N
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
SMS_ID
100000083605
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID3041083
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
DRUG CENTRAL
1974
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
WIKIPEDIA
NOVOBIOCIN
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
DAILYMED
17EC19951N
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
INN
575
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
ChEMBL
CHEMBL36506
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
NCI_THESAURUS
C705
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
RS_ITEM_NUM
1475008
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
CAS
303-81-1
Created by admin on Fri Dec 15 14:58:20 UTC 2023 , Edited by admin on Fri Dec 15 14:58:20 UTC 2023
PRIMARY
Related Record Type Details
OAT-1
TRANSPORTER -> INHIBITOR
OAT-4
TRANSPORTER -> INHIBITOR
OAT-3
TRANSPORTER -> INHIBITOR
Structure of NOVOBIOCIN CALCIUM
SALT/SOLVATE -> PARENT
Structure of NOVOBIOCIN SODIUM
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of NOVOBIOCIN
ACTIVE MOIETY
NIH
NCATS
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DISCLAIMER
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