U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H41N7O12.C9H17NO5
Molecular Weight 802.8249
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROSTREPTOMYCIN PANTOTHENATE

SMILES

CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O.[H][C@@]3(O[C@H]1[C@H](O[C@@]2([H])[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)CO)O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3NC

InChI

InChIKey=BCYSNOFYSIJRNM-FGZKHVCBSA-N
InChI=1S/C21H41N7O12.C9H17NO5/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;7-/m00/s1

HIDE SMILES / InChI

Molecular Formula C9H17NO5
Molecular Weight 219.235
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C21H41N7O12
Molecular Weight 583.5899
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:05:30 UTC 2023
Edited
by admin
on Fri Dec 15 18:05:30 UTC 2023
Record UNII
4A47J84Y2K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIHYDROSTREPTOMYCIN PANTOTHENATE
MI   WHO-DD  
Common Name English
PANTOSTREP
Common Name English
Dihydrostreptomycin pantothenate [WHO-DD]
Common Name English
PANTHOMYCIN
Common Name English
STREPTOMYCIN, DIHYDRO-, D-PANTOTHENATE (SALT)
Common Name English
DIHYDROSTREPTOMYCIN PANTOTHENATE [MI]
Common Name English
D-STREPTAMINE, O-2-DEOXY-2-(METHYLAMINO)-.ALPHA.-L-GLUCOPYRANOSYL-(1,2)-O-5-DEOXY-3-C-(HYDROXYMETHYL)-.ALPHA.-L-LYXOFURANOSYL-(1,4)-N,N'-BIS(AMINOIMINOMETHYL)-, COMPD. WITH (R)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-.BETA.-ALANINE
Common Name English
DIDROTHENAT
Brand Name English
PANTOTHENIC ACID, D-, COMPD. WITH DIHYDROSTREPTOMYCIN
Brand Name English
D-PANTOTHENIC ACID COMPD. WITH DIHYDROSTREPTOMYCIN
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
222-637-5
Created by admin on Fri Dec 15 18:05:30 UTC 2023 , Edited by admin on Fri Dec 15 18:05:30 UTC 2023
PRIMARY
FDA UNII
4A47J84Y2K
Created by admin on Fri Dec 15 18:05:30 UTC 2023 , Edited by admin on Fri Dec 15 18:05:30 UTC 2023
PRIMARY
PUBCHEM
107411
Created by admin on Fri Dec 15 18:05:30 UTC 2023 , Edited by admin on Fri Dec 15 18:05:30 UTC 2023
PRIMARY
SMS_ID
100000087488
Created by admin on Fri Dec 15 18:05:30 UTC 2023 , Edited by admin on Fri Dec 15 18:05:30 UTC 2023
PRIMARY
MERCK INDEX
m4467
Created by admin on Fri Dec 15 18:05:30 UTC 2023 , Edited by admin on Fri Dec 15 18:05:30 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID30957018
Created by admin on Fri Dec 15 18:05:30 UTC 2023 , Edited by admin on Fri Dec 15 18:05:30 UTC 2023
PRIMARY
CAS
3563-84-6
Created by admin on Fri Dec 15 18:05:30 UTC 2023 , Edited by admin on Fri Dec 15 18:05:30 UTC 2023
PRIMARY
EVMPD
SUB01724MIG
Created by admin on Fri Dec 15 18:05:30 UTC 2023 , Edited by admin on Fri Dec 15 18:05:30 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY