STREPTOMYCIN PANTOTHENATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H39N7O12.C9H17NO5
Molecular Weight	800.809
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

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)C=O)O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3NC

InChI

InChIKey=YXIORFGPXSLCOT-FGZKHVCBSA-N

InChI=1S/C21H39N7O12.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/h4-18,26,29,31-36H,3H2,1-2H3,(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	C21H39N7O12
Molecular Weight	581.5741
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:44:24 UTC 2023` Edited by `admin` on `Fri Dec 15 18:44:24 UTC 2023`
Record UNII	XOQ162YYFV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

STREPTOMYCIN PANTOTHENATE

Common Name

English

PANTOTHENIC ACID, COMPD. WITH STREPTOMYCIN

Common Name

English

PANTOTHENIC ACID, D-, COMPD. WITH STREPTOMYCIN (1:1)

Common Name

English

Streptomycin pantothenate [WHO-DD]

Common Name

English

D-STREPTAMINE, O-2-DEOXY-2-(METHYLAMINO)-.ALPHA.-L-GLUCOPYRANOSYL-(1->2)-O-5-DEOXY-3-C-FORMYL-.ALPHA.-L-LYXOFURANOSYL-(1->4)-N,N'-BIS(AMINOIMINOMETHYL)-, COMPD. WITH (R)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-.BETA.-ALANINE (1:1)

Systematic Name

English

PANTOTHENIC ACID, COMPD. WITH STREPTOMYCIN (1:1)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50977839