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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H24N2O7.H2O4S
Molecular Weight 430.428
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPECTINOMYCIN SULFATE

SMILES

OS(O)(=O)=O.[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]3([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]3([H])O2

InChI

InChIKey=XGBFWQUQYQIFLB-MTTMTQIXSA-N
InChI=1S/C14H24N2O7.H2O4S/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;1-5(2,3)4/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4)/t5-,7-,8+,9+,10+,11-,12-,13+,14+;/m1./s1

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H24N2O7
Molecular Weight 332.3496
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:02:59 UTC 2023
Edited
by admin
on Fri Dec 15 15:02:59 UTC 2023
Record UNII
BZ0H4TLF9X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SPECTINOMYCIN SULFATE
Common Name English
(2R-(2.ALPHA.,4A.BETA.,5A.BETA.,6.BETA.,7.BETA.,8.BETA.,9.ALPHA.,9A.ALPHA.,10A.BETA.))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULFATE
Common Name English
4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE, DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-, SULPHATE (1:1) (SALT)
Common Name English
(2R-(2.ALPHA.,4A.BETA.,5A.BETA.,6.BETA.,7.BETA.,8.BETA.,9.ALPHA.,9A.ALPHA.,10A.BETA.))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULPHATE
Common Name English
SPECTINOMYCIN SULPHATE
Common Name English
ACTINOSPECTACIN SULPHATE
Common Name English
ACTINOSPECTACIN SULFATE
Common Name English
4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE, DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-, (2R,4AR,5AR,6S,7S,8R,9S,9AR,10AS)-, SULFATE (1:1)
Common Name English
4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE, DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-, (2R,4AR,5AR,6S,7S,8R,9S,9AR,10AS)-, SULPHATE (1:1)
Common Name English
4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE, DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-, SULFATE (1:1) (SALT)
Common Name English
Classification Tree Code System Code
CFR 21 CFR 522.2121
Created by admin on Fri Dec 15 15:02:59 UTC 2023 , Edited by admin on Fri Dec 15 15:02:59 UTC 2023
NCI_THESAURUS C2363
Created by admin on Fri Dec 15 15:02:59 UTC 2023 , Edited by admin on Fri Dec 15 15:02:59 UTC 2023
Code System Code Type Description
PUBCHEM
64771
Created by admin on Fri Dec 15 15:02:59 UTC 2023 , Edited by admin on Fri Dec 15 15:02:59 UTC 2023
PRIMARY
NCI_THESAURUS
C90691
Created by admin on Fri Dec 15 15:02:59 UTC 2023 , Edited by admin on Fri Dec 15 15:02:59 UTC 2023
PRIMARY
FDA UNII
BZ0H4TLF9X
Created by admin on Fri Dec 15 15:02:59 UTC 2023 , Edited by admin on Fri Dec 15 15:02:59 UTC 2023
PRIMARY
DRUG BANK
DBSALT002282
Created by admin on Fri Dec 15 15:02:59 UTC 2023 , Edited by admin on Fri Dec 15 15:02:59 UTC 2023
PRIMARY
ECHA (EC/EINECS)
245-578-7
Created by admin on Fri Dec 15 15:02:59 UTC 2023 , Edited by admin on Fri Dec 15 15:02:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID40945986
Created by admin on Fri Dec 15 15:02:59 UTC 2023 , Edited by admin on Fri Dec 15 15:02:59 UTC 2023
PRIMARY
CAS
23312-56-3
Created by admin on Fri Dec 15 15:02:59 UTC 2023 , Edited by admin on Fri Dec 15 15:02:59 UTC 2023
PRIMARY
SMS_ID
100000172223
Created by admin on Fri Dec 15 15:02:59 UTC 2023 , Edited by admin on Fri Dec 15 15:02:59 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY