UKRAIN

Details

Stereochemistry	MIXED
Molecular Formula	C66H72N6O15PS.3HO
Molecular Weight	1303.37
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[OH-].[OH-].[OH-].[H][C@]12[C@@H](O)CC3=CC4=C(OCO4)C=C3[C@@]1([H])[N+](C)(CCNP(=S)(NCC[N+]5(C)CC6=C(C=CC7=C6OCO7)[C@@]8([H])[C@@H](O)CC9=CC%10=C(OCO%10)C=C9[C@@]58[H])NCC[N+]%11(C)CC%12=C(C=CC%13=C%12OCO%13)[C@@]%14([H])[C@@H](O)CC%15=CC%16=C(OCO%16)C=C%15[C@@]%11%14[H])CC%17=C2C=CC%18=C%17OCO%18

InChI

InChIKey=KIGCDEJCMKDBHU-NIQQUOCOSA-K

InChI=1S/C66H72N6O15PS.3H2O/c1-70(25-43-37(4-7-49-64(43)85-31-76-49)58-46(73)16-34-19-52-55(82-28-79-52)22-40(34)61(58)70)13-10-67-88(89,68-11-14-71(2)26-44-38(5-8-50-65(44)86-32-77-50)59-47(74)17-35-20-53-56(83-29-80-53)23-41(35)62(59)71)69-12-15-72(3)27-45-39(6-9-51-66(45)87-33-78-51)60-48(75)18-36-21-54-57(84-30-81-54)24-42(36)63(60)72;;;/h4-9,19-24,46-48,58-63,73-75H,10-18,25-33H2,1-3H3,(H3,67,68,69,89);3*1H2/q+3;;;/p-3/t46-,47-,48-,58-,59-,60-,61+,62+,63+,70?,71?,72?,88?;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C66H72N6O15PS
Molecular Weight	1252.348
Charge	3
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	9 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:57:23 UTC 2023` Edited by `admin` on `Sat Dec 16 01:57:23 UTC 2023`
Record UNII	6251Q9UK1S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

UKRAIN

Common Name

English

NSC-631570

Code

English

CHELIDONINIUM, 5,5',5''-(PHOSPHINOTHIOYLIDYNETRIS(IMINO-2,1-ETHANEDIYL))TRIS(5-METHYL-, TRIHYDROXIDE

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

169303